SMILES for Opioid growth factor receptor-like protein 1

439 SMILES Strings for Opioid growth factor receptor-like protein 1

Compound Name	SMILES String
BDBM15528	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)NC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM16019	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 \|r,TLB:11:8:25:2.4.3\|
BDBM97715	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O \|r\|
BDBM97710	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O \|r,TLB:11:12:20:15.17.16,THB:20:21:28:25.24.26\|
BDBM97711	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O \|r,THB:19:20:27:24.23.25\|
BDBM97713	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O \|r\|
BDBM12135	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(NCC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:26:2.3\|
BDBM133951	OC(=O)[C@@H]1CN(CCNc2nc3ccccc3n(C3CC45CC(CCC4)(C3)N5C34CC5CC3CC(C4)C5)c2=O)C[C@H]1C(O)=O \|r,TLB:31:30:35:32.33,17:18:27:25.24.23,THB:31:32:35:36.29.30,17:18:27:21,33:32:29:35.36.34,33:34:29:31.32\|
BDBM4392	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC \|r,TLB:26:25:15.16:22.21\|
BDBM3992	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4207	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC \|r,TLB:26:25:15.16:22.21\|
BDBM4667	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4009	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4203	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC \|r,TLB:26:25:15.16:22.21\|
BDBM4390	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4654	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC \|r,TLB:26:25:15.16:22.21\|
BDBM4205	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4267	COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC \|r\|
BDBM3916	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4720	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM4211	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC \|r,TLB:26:25:15.16:22.21\|
BDBM4387	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC \|r,TLB:26:25:15.16:22.21\|
BDBM4661	COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC \|r,TLB:23:22:12.13:19.18\|
BDBM133997	O=c1c(nc2ncccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
BDBM12180	Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN\C=C2/C=CC=C(O)C2=O)n1 \|c:22,t:24\|
BDBM133854	COC(=O)C1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133855	OC(=O)C1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133856	CC(C)(C)OC(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133857	NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133858	CC(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133863	CS(=O)(=O)NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133866	NC(=O)[C@H](CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133868	CC(=O)N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133869	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc12
BDBM133870	N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133872	O[C@@H]1CC(N(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O \|r\|
BDBM133871	OC(=O)C1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133884	OC(=O)c1ccc2CCN(Cc2c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133885	OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133886	OC[C@@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133887	OC[C@H](Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O \|r\|
BDBM133888	CCOC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133889	NCC(O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133890	CC(=O)N[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133874	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCc2ccccc2C1
BDBM133876	O=c1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)c[nH]1
BDBM133877	COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133878	NC(=O)CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133879	O=c1c(Nc2ccccc2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM133880	CC(=O)N1CCC(CC1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133881	CS(=O)(=O)N1CCC(CC1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133882	N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133883	OC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133859	NC(=N)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133860	COC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133861	COC(=O)[C@@H]1C[C@@H](O)CN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133862	NC(=O)C1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133867	COc1ccc(Nc2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)cn1
BDBM133873	NC(=O)[C@@H]1CCCN1c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133875	COC(=O)c1ccc2CCN(Cc2c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133864	O=c1c(NC2CCNCC2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM133865	NC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133939	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O \|r,THB:25:24:21:28.26.27,25:26:24.23:21\|
BDBM133940	CCC(C#Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133941	CC(C)(C)C#CCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133942	CCC(C#CC(C)(C)C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133943	CC1(C)[C@@H]2C[C@H]1[C@H](CN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 \|r\|
BDBM133944	OC(=O)CN(CCNC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O)CC(O)=O \|r,TLB:34:33:36:30.29.28,34:29:36:33.35.32,THB:35:33:30:36.27.28,35:27:30:33.34.32,27:26:19.20.25:22.23\|
BDBM133945	CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC \|r,THB:28:27:20.21.26:23.24\|
BDBM133946	OC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(O)=O \|r,THB:26:25:18.19.24:21.22\|
BDBM133947	CN(C)C1(CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r\|
BDBM133948	CCOC(=O)C1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC \|r,THB:28:27:20.21.26:23.24\|
BDBM133949	OC(=O)c1cc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)ccc1O \|r,THB:25:24:17.18.23:20.21\|
BDBM133950	CCOC(=O)[C@@H]1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CCC[C@H](C3)N4C34CC5CC3CC(C4)C5)c2=O)C[C@H]1C(=O)OCC \|r,TLB:32:31:36:33.34,THB:32:33:36:37.30.31,34:33:30:36.37.35,34:35:30:32.33\|
BDBM133952	CC1(CCCCCCC1)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r,THB:18:16:9:13.11.12\|
BDBM133953	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCC\C=C/2)c1=O \|r,c:30,TLB:11:12:20:15.16.17\|
BDBM133954	CC(C)(C1CCCCCCC1)N1[C@H]2CCC[C@@H]1C[C@@](C)(C2)n1c2ccccc2nc(C(O)=O)c1=O \|r,THB:19:18:11:13.14.15,21:18:11:13.14.15\|
BDBM133955	OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1 \|r\|
BDBM133956	CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CCC(C)C)c1=O \|r\|
BDBM133957	CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C(C)CC(C)C)c1=O \|r\|
BDBM133958	CC(C)CCC(C)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133959	CC(C)CC(C)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133960	CN(CC(O)=O)[C@H]1CCN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O \|r,TLB:19:20:28:25.23.24\|
BDBM133961	CCOC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C\C=C2/CCC3CC2C3(C)C)c1=O \|r\|
BDBM133962	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23CCC(CC2)C3)c1=O \|r\|
BDBM133963	OC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23CC4CC2CC(C3)C4)c1=O \|r,TLB:23:22:27:24.25,THB:20:19:12.13.18:15.16,23:24:27:22.21.28,25:26:21:24.23\|
BDBM133964	OC(=O)c1nc2ccccc2n([C@H]2C[C@H]3CCCC[C@@H](C2)N3C2CCCCC\C=C/2)c1=O \|r,c:31,TLB:11:12:21:15.18.16.17\|
BDBM133965	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C3CC4CC(C3)CC2C4)c1=O \|r,wU:12.12,18.21,wD:14.22,TLB:20:21:23:25.26.27,THB:21:29:25:23.22.27,21:22:25:29.28.30,28:29:23:25.26.27,28:26:23:29.21.30,(4,5.78,;2.67,6.55,;2.67,8.09,;1.33,5.78,;,6.55,;-1.33,5.78,;-2.67,6.55,;-4,5.78,;-4,4.24,;-2.67,3.47,;-1.33,4.24,;,3.47,;,1.93,;-.57,.5,;.66,-.43,;1.43,.9,;2.76,1.67,;2.47,.48,;1.81,-.43,;.58,.5,;1.24,-1.86,;1.24,-3.4,;-.28,-3.63,;-.84,-5.06,;.12,-6.26,;.12,-8.09,;1.35,-6.89,;-.14,-5.01,;2.7,-6.66,;2.2,-4.6,;1.65,-6.03,;1.33,4.24,;2.67,3.47,)\|
BDBM133966	CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(C(O)=O)c1=O)CC2 \|r\|
BDBM133967	CC(C)CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133968	CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCC(C)(C)CC2)c1=O \|r\|
BDBM133969	CC1(C)CCC(CC1)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133970	CCOC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC(C)(C)CC(C)(C)C2)c1=O \|r\|
BDBM133971	CC1(C)CC(CC(C)(C)C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C(O)=O)c1=O \|r\|
BDBM133972	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3CCC2CCCCC2)c1=O \|r\|
BDBM133973	CN(C)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133974	OCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133975	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CC2CNCC2C1
BDBM133976	O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM133977	CC(C)(C)OC(=O)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133978	CC(C)(C)OC(=O)N1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133979	NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133980	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCNCC1
BDBM133981	CS(=O)(=O)NCCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133982	CN1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133983	CC(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133984	CC(C)(C)OC(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133985	Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133986	CC(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133987	O=C1CN(CCN1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133988	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1Cc2ccccc2C1
BDBM133891	NC(=O)C1CCCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133989	C=CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133990	OCC(O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133991	CCOC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133992	[O-]C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133993	CC(C)(C)OC(=O)N1CC2CN(CC2C1)C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133994	O=C(N1CC2CNCC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133995	O=C1CNc2ccccc2N1C1CCN(CC1)C1CCCCCCC1
BDBM133892	CCOC(=O)CN(C)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133893	OC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133894	CN(CC(O)=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133895	NC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C23CC4CC(CC(C4)C2)C3)c1=O \|TLB:23:24:28:22.21.27,27:22:29:26.28.25,27:26:29:22.21.23,THB:23:22:28:29.24.25\|
BDBM133896	CN(CC(O)CO)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133897	CS(=O)(=O)N[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133898	OCC(CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133996	O=C1CN(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1
BDBM133999	OC(=O)CN[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM134000	OC(=O)CCNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133899	O[C@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133900	COc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133901	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133902	O=C(NC#N)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133903	CS(=O)(=O)NC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133904	NC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133905	CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133906	OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133907	COc1ccc(NC(=O)c2nc3ccccc3n(C3CCN(CC3)C3CCCCCCC3)c2=O)cn1
BDBM133908	CN(C)C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133909	O=C(Nc1ccc(=O)[nH]c1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133910	CONC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133911	O=C(NOCc1ccccc1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133912	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)C#N
BDBM133913	OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C23CC4CC(CC(C4)C2)C3)c1=O \|r,TLB:28:23:30:27.29.26,28:27:30:23.22.24,24:25:29:23.22.28,THB:24:23:29:30.25.26\|
BDBM133914	NC(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133915	OCC(O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133916	O[C@@H]1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133917	OC(=O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133918	NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133919	ONC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM133920	OC[C@H](O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133921	NC(=O)CNc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133922	OC(=O)[C@H]1CC[C@H](C1)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O \|r\|
BDBM133923	OC(=O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133924	OC(=O)CN1CCN(CC1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133925	OC(=O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1 \|r\|
BDBM133926	OC(=O)C1CCCN1C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM14166	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(CC1)C(C)(C)C \|r,wU:7.10,1.0,wD:4.4,7.7,TLB:10:7:24:2.3,(-2.68,-3.07,;-1.35,-2.3,;-.58,-.97,;1.3,-1.91,;-.19,-2.3,;.9,-3.39,;-1.42,-1.37,;-2,.05,;-.67,.82,;-2.57,-1.37,;-2,1.59,;-3.33,2.36,;-4.67,1.59,;-6,2.36,;-6,3.9,;-4.67,4.67,;-3.33,3.9,;-2,4.67,;-.67,3.9,;.67,4.67,;2,3.9,;.67,6.21,;-.67,2.36,;.67,1.59,;-.76,-3.73,;-.76,-5.27,;-2.09,-6.04,;-2.09,-7.58,;-.76,-8.35,;.57,-7.58,;.57,-6.04,;-.76,-9.89,;-1.85,-10.98,;.33,-10.98,;-.76,-11.43,)\|
BDBM14165	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(CC1)C(C)C \|r,wU:7.10,1.0,wD:4.4,7.7,TLB:10:7:24:2.3,(-2.68,-3.07,;-1.35,-2.3,;-.58,-.97,;1.3,-1.91,;-.19,-2.3,;.9,-3.39,;-1.42,-1.37,;-2,.05,;-.67,.82,;-2.57,-1.37,;-2,1.59,;-3.33,2.36,;-4.67,1.59,;-6,2.36,;-6,3.9,;-4.67,4.67,;-3.33,3.9,;-2,4.67,;-.67,3.9,;.67,4.67,;2,3.9,;.67,6.21,;-.67,2.36,;.67,1.59,;-.76,-3.73,;-.76,-5.27,;-2.09,-6.04,;-2.09,-7.58,;-.76,-8.35,;.57,-7.58,;.57,-6.04,;-.76,-9.89,;-1.85,-10.98,;.33,-10.98,)\|
BDBM133927	CN(CC(O)=O)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r,THB:25:24:17.18.23:20.21\|
BDBM133928	CC(C)(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r,THB:23:22:15.16.21:18.19\|
BDBM133929	CSCCC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r,THB:25:24:17.18.23:20.21\|
BDBM133930	OC(=O)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r,THB:25:24:17.18.23:20.21\|
BDBM133931	OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1 \|r\|
BDBM133932	CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r,THB:22:21:14.15.20:17.18\|
BDBM133933	CC(C)CC(NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)C(O)=O \|r,THB:25:24:17.18.23:20.21\|
BDBM133934	OC(=O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cc1 \|r,THB:28:27:20.21.26:23.24\|
BDBM133935	OC(=O)C1CCN(CC1)C(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM133936	O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O \|r,THB:26:25:18.19.24:21.22\|
BDBM133937	OC(=O)c1ccc(CNC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)nc1 \|r,THB:28:27:20.21.26:23.24\|
BDBM133938	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCC=C2)c1=O \|r,c:28\|
BDBM11604	O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCOCC1
BDBM12257	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NOC)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:26:2.3\|
BDBM15076	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(CC)C#CC(C)C \|r,TLB:10:7:24:2.3\|
BDBM15540	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(Nc3cnccc3C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM13138	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM11620	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)CO)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:27:2.3\|
BDBM11828	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:27:2.3\|
BDBM13059	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](C(O)=O)c3ccccc3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:32:2.3\|
BDBM13201	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM13810	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC(C)(C)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM13813	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC3(CCCCC3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM14981	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C#CC(C)C)C(C)C \|r,TLB:10:7:24:2.3\|
BDBM18021	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCCCC1 \|r,TLB:10:7:24:2.3\|
BDBM12981	NC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(N2CC3CNCC3C2)c1=O
BDBM13532	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCNC(=O)C3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM13948	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)N3CCCC3C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM12256	[H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 \|r,TLB:8:7:32:2.3,10:7:32:2.3\|
BDBM15086	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1Cc2cccc3cccc1c23 \|r,TLB:10:7:24:2.3\|
BDBM13108	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC4(CC3)NC(=O)NC4=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM12867	[H][C@]1(C[C@@H]2CC[C@H](C1)N2C12CC3CC(CC(C3)C1)C2)n1c2ccccc2nc(C(O)=O)c1=O \|r,TLB:16:11:18:15.17.14,16:15:18:11.10.12,12:13:17:11.10.16,THB:12:11:17:18.13.14\|
BDBM13042	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNCC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:29:2.3\|
BDBM13791	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(N)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM12163	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM11775	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM12729	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NO)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:25:2.3\|
BDBM97712	OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O \|r\|
BDBM16434	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 \|r,TLB:11:8:25:2.4.3\|
BDBM14770	[H][C@]12CN(C)C[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:12:9:26:2.5.3\|
BDBM14854	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:24:2.3\|
BDBM12265	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM18015	[H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2c[nH]cn2)C(O)=O)c1=O \|r\|
BDBM18581	[H]C1(CC2CCCC(C2)C1)N1[C@@]2([H])CCC[C@]1([H])C[C@@]([H])(C2)n1c2ccccc2nc(C(O)=O)c1=O \|r,@:10,@@:1,TLB:10:1:8:4.5.6,THB:22:19:10:13.15.14\|
BDBM14161	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(Nc3ccccc3C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM11832	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM15580	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)N(C)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM11758	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(N)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:24:2.3\|
BDBM12404	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)CO)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:29:2.3\|
BDBM14852	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3([H])C[C@@]([H])(C[C@@](O)(C3)C1)C2 \|r,TLB:35:33:37:27.26.29,35:27:37:33.36.32,10:7:24:2.3,THB:34:33:37:27.26.29,32:33:26:37.30.29,32:30:26:33.36.35\|
BDBM15121	CC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
BDBM16507	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 \|r,TLB:11:8:25:2.4.3,25:26:30.31.29:35.34.33\|
BDBM18013	[H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NCCC(O)=O)c1=O \|r\|
BDBM18016	[H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2ccccc2)C(O)=O)c1=O \|r\|
BDBM18576	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(CC)CC \|r,TLB:10:7:24:2.3\|
BDBM13060	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](Cc3ccccc3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM13586	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)(NC(C)=O)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:34:2.3\|
BDBM14162	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N(CCO)CC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:29:2.3\|
BDBM11830	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(NC[C@@H](O)CO)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:27:2.3\|
BDBM14833	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:26:2.3\|
BDBM17276	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 \|r,TLB:10:7:24:2.3\|
BDBM14925	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 \|r,TLB:28:29:33:27.26.32,32:27:34:31.33.30,32:31:34:27.26.28,10:7:24:2.3,THB:28:27:33:34.29.30\|
BDBM12048	OC(=O)C1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM15340	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 \|r,TLB:29:30:34:28.27.33,33:28:35:32.34.31,33:32:35:28.27.29,11:8:25:2.4.3,THB:29:28:34:35.30.31\|
BDBM17598	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 \|r,TLB:10:7:24:2.3,24:25:29.30.28:34.33.32\|
BDBM18577	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(C)(C)CC1 \|r,TLB:11:8:25:2.4.3\|
BDBM13094	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM13947	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC4CN(CC(O)=O)CC4C3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM14163	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 \|r,TLB:11:8:27:2.4.3\|
BDBM14328	[H][C@]12COC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:11:8:25:2.4.3\|
BDBM12159	OC(=O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O \|r\|
BDBM12221	O=C1CCN(N1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM15308	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 \|r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28\|
BDBM15777	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C)(C)CC(C)(C)C \|r,TLB:10:7:24:2.3\|
BDBM13043	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM13736	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM13956	OC(=O)C(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM11829	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(N)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM12373	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM14841	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1Cc2ccccc2C1 \|r,TLB:10:7:24:2.3\|
BDBM12162	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)C3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM13044	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](CC(O)=O)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM13970	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)CC3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM11831	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:26:2.3\|
BDBM12215	FC(F)(F)S(=O)(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM12565	[H][C@@]12CC[C@@](C)(C[C@]([H])(C1)N1C(=O)C(N[C@@H](CO)C(O)=O)Nc3ccccc13)N2C1CCCCCCC1 \|r,TLB:10:7:28:3.2\|
BDBM13583	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM13955	O.[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCc3ccc(cc3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:11:8:33:3.4\|
BDBM12979	[H][C@@]1(C[C@@H]2CC[C@H](C1)N2C12CC3CC(CC(C3)C1)C2)n1c2ccccc2nc(C(O)=O)c1=O \|r,TLB:16:11:18:15.17.14,16:15:18:11.10.12,12:13:17:11.10.16,THB:12:11:17:18.13.14\|
BDBM14164	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:11:8:25:2.4.3\|
BDBM14306	[H][C@]12COC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 \|r,TLB:11:8:27:2.4.3\|
BDBM11614	CC(C)(C)OC(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
BDBM17605	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 \|r,TLB:10:7:24:2.3\|
BDBM15197	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3nc(CC(O)=O)cs3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM12220	CC(Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O
BDBM12816	[H][C@]12CC[C@](C)(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM18569	[H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 \|r,@:26,TLB:11:8:25:2.4.3\|
BDBM12980	OC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(N2CC3CNCC3C2)c1=O
BDBM13857	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCN(C(O)=O)C(=O)C3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:31:2.3\|
BDBM15351	CCCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
BDBM12266	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:32:2.3\|
BDBM14160	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM11778	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:28:2.3\|
BDBM12838	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:30:2.3\|
BDBM144350	CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 \|r,TLB:8:7:31.30:4.3\|
BDBM150205	NC(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O \|r\|
BDBM150209	OC(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O \|r\|
BDBM150211	OC(=O)c1cc2C[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O \|r\|
BDBM150219	NC(=O)CNC(=O)c1cc2C[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O \|r\|
BDBM150220	C[C@H](NC(=O)c1cc2C[C@H]3[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O)C(N)=O \|r\|
BDBM173464	COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N]3(C)CC1CC1)[C@@H](COCc1ccc(Cl)c(Cl)c1)C5 \|r,TLB:28:27:18.14:10.9\|
BDBM173465	COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N]3(C)CC1CC1)[C@@H](COCc1cc2OCOc2cc1Cl)C5 \|r,TLB:28:27:18.14:10.9\|
BDBM173466	COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N]3(C)CC1CC1)[C@@H](COCc1ccc(C)cc1)C5 \|r,TLB:28:27:18.14:10.9\|
BDBM173467	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(F)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CC[N]1(C)CC1CC1)c45 \|r,TLB:8:7:28.27:3.4\|
BDBM173468	CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CC[N]1(C)CC1CC1)c45 \|r,TLB:8:7:30.29:3.4\|
BDBM173469	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccc(C)cc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CC[N]1(C)CC1CC1)c45 \|r,TLB:8:7:28.27:3.4\|
BDBM173471	COc1ccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3[N](C)(CC3CC3)CC[C@@]426)ccc5OC)cc1 \|r,TLB:8:9:32.17:13.12\|
BDBM173486	COc1ccc2C[C@@H]3[C@]45CC[C@](OC)([C@@H]6Oc1c2[C@]46CC[N+]3(C)CC1CC1)[C@@H](COCc1ccc(cc1)C(C)(F)F)C5 \|r,TLB:28:27:18.14:10.9\|
BDBM177919	CC1Cc2c([nH]c3ccc(cc23)[N+]([O-])=O)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 \|(-2.69,-4.09,;-1.92,-2.75,;-2.69,-1.42,;-1.92,-.09,;-.38,-.09,;.09,1.38,;-1.15,2.28,;-1.32,3.81,;-2.72,4.44,;-3.97,3.54,;-3.81,2,;-2.4,1.38,;-5.38,4.16,;-5.54,5.69,;-6.62,3.26,;.39,-1.42,;1.16,-2.75,;2.7,-2.75,;3.47,-1.42,;2.7,-.09,;1.16,-.09,;4.55,-.33,;6.04,-.73,;4.16,1.16,;4.24,-2.75,;3.47,-4.09,;4.24,-5.42,;5.78,-5.42,;6.55,-4.09,;5.78,-2.75,;-.38,-2.75,)\|
BDBM177916	CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 \|(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)\|
BDBM177911	CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccccc12)c1ccccc1 \|(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)\|
BDBM177926	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177913	CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2ccccc12)C(C)=O)c1ccccc1 \|(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-3.6,;-1.67,-4.93,;.64,-3.6,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)\|
BDBM172423	OC(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM177903	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 \|(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)\|
BDBM177906	CN(C)C1(CCC2(CC1)SCCc1c2[nH]c2ccccc12)c1ccccc1 \|(4.75,-.24,;3.27,.16,;2.87,1.65,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)\|
BDBM177915	COc1ccc2[nH]c3c(CCOC33CCC(CC3)(N(C)C)c3ccccc3)c2c1 \|(-6.55,3.34,;-5.46,4.42,;-3.97,4.03,;-2.72,4.93,;-1.32,4.3,;-1.15,2.77,;.09,1.87,;-.38,.4,;-1.92,.4,;-2.69,-.93,;-1.92,-2.26,;-.38,-2.26,;.39,-.93,;1.16,-2.26,;2.7,-2.26,;3.47,-.93,;2.7,.4,;1.16,.4,;4.55,.16,;6.04,-.24,;4.16,1.65,;4.24,-2.26,;3.47,-3.6,;4.24,-4.93,;5.78,-4.93,;6.55,-3.6,;5.78,-2.26,;-2.4,1.87,;-3.81,2.49,)\|
BDBM177918	CC1Cc2c([nH]c3ccc(Br)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 \|(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)\|
BDBM177924	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccc(F)cc1 \|(4.75,.43,;3.27,.83,;2.87,2.31,;2.18,-.26,;1.41,-1.6,;-.13,-1.6,;-.9,-.26,;-.13,1.07,;1.41,1.07,;-1.67,-1.6,;-3.21,-1.6,;-3.98,-.26,;-3.21,1.07,;-1.67,1.07,;-1.2,2.53,;-2.44,3.44,;-2.6,4.97,;-4.01,5.6,;-5.26,4.69,;-5.1,3.16,;-3.69,2.53,;2.95,-1.6,;2.18,-2.93,;2.95,-4.26,;4.49,-4.26,;5.26,-5.6,;5.26,-2.93,;4.49,-1.6,)\|
BDBM177925	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1cccc(F)c1 \|(3.98,-.24,;2.5,.16,;2.1,1.65,;1.41,-.93,;.64,-2.26,;-.9,-2.26,;-1.67,-.93,;-.9,.4,;.64,.4,;-2.44,-2.26,;-3.98,-2.26,;-4.75,-.93,;-3.98,.4,;-2.44,.4,;-1.97,1.87,;-3.21,2.77,;-3.37,4.3,;-4.78,4.93,;-6.03,4.03,;-5.87,2.49,;-4.46,1.87,;2.18,-2.26,;1.41,-3.6,;2.18,-4.93,;3.72,-4.93,;4.49,-3.6,;6.03,-3.6,;3.72,-2.26,)\|
BDBM177928	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177930	CNC1(CCC2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 \|(4.75,-.24,;3.27,.16,;2.18,-.93,;1.41,-2.26,;-.13,-2.26,;-.9,-.93,;-.13,.4,;1.41,.4,;-1.67,-2.26,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,)\|
BDBM177931	CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177933	CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2cc(F)ccc12)c1ccccc1 \|(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)\|
BDBM177934	CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1 \|(4.75,-.98,;3.27,-.59,;2.87,.9,;2.18,-1.67,;1.41,-3.01,;-.13,-3.01,;-.9,-1.67,;-.13,-.34,;1.41,-.34,;-1.67,-3.01,;-3.21,-3.01,;-3.98,-1.67,;-3.21,-.34,;-1.67,-.34,;-1.2,1.12,;-2.44,2.03,;-2.6,3.56,;-4.01,4.19,;-4.41,5.68,;-5.26,3.28,;-5.1,1.75,;-3.69,1.12,;-.9,-4.34,;-1.67,-5.68,;.64,-4.34,;2.95,-3.01,;2.18,-4.34,;2.95,-5.68,;4.49,-5.68,;5.26,-4.34,;4.49,-3.01,)\|
BDBM177935	CC1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 \|(-3.98,-3.6,;-3.21,-2.26,;-3.98,-.93,;-3.21,.4,;-1.67,.4,;-1.2,1.87,;-2.44,2.77,;-2.6,4.3,;-4.01,4.93,;-5.26,4.03,;-5.1,2.49,;-3.69,1.87,;-.9,-.93,;-.13,-2.26,;1.41,-2.26,;2.18,-.93,;1.41,.4,;-.13,.4,;3.27,.16,;4.75,-.24,;2.87,1.65,;2.95,-2.26,;2.18,-3.6,;2.95,-4.93,;4.49,-4.93,;5.26,-3.6,;4.49,-2.26,;-1.67,-2.26,)\|
BDBM177936	CN(C)C1(CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177937	CC1Cc2c([nH]c3ccc(F)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 \|(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)\|
BDBM177938	CC1Cc2c([nH]c3ccc(C)cc23)C2(CCC(CC2)(N(C)C)c2ccccc2)O1 \|(-3.24,-3.6,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;-.16,-.93,;.61,-2.26,;2.15,-2.26,;2.92,-.93,;2.15,.4,;.61,.4,;4.01,.16,;5.5,-.24,;3.61,1.65,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,;-.93,-2.26,)\|
BDBM177946	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(Br)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177947	CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(O)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;3.61,1.65,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177948	COC(=O)C1Cc2c([nH]c3ccccc23)C2(CCC(CC2)(N(C)C)c2ccccc2)N1 \|(-5.78,-4.93,;-5,-3.6,;-3.47,-3.6,;-2.69,-4.93,;-2.69,-2.26,;-3.47,-.93,;-2.69,.4,;-1.15,.4,;-.68,1.87,;-1.93,2.77,;-2.09,4.3,;-3.49,4.93,;-4.74,4.03,;-4.58,2.49,;-3.17,1.87,;-.38,-.93,;.38,-2.26,;1.93,-2.26,;2.69,-.93,;1.93,.4,;.38,.4,;3.78,.16,;5.27,-.24,;3.39,1.65,;3.47,-2.26,;2.69,-3.6,;3.47,-4.93,;5,-4.93,;5.78,-3.6,;5,-2.26,;-1.15,-2.26,)\|
BDBM177951	CNC1(CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 \|(5.5,-.24,;4.01,.16,;2.92,-.93,;2.15,-2.26,;.61,-2.26,;-.16,-.93,;.61,.4,;2.15,.4,;-.93,-2.26,;-2.47,-2.26,;-3.24,-.93,;-2.47,.4,;-.93,.4,;-.45,1.87,;-1.7,2.77,;-1.86,4.3,;-3.27,4.93,;-4.51,4.03,;-6,4.42,;-4.35,2.49,;-2.95,1.87,;3.69,-2.26,;2.92,-3.6,;3.69,-4.93,;5.23,-4.93,;6,-3.6,;5.23,-2.26,)\|
BDBM177954	CN(C)C1(CCC2(CC1)c1sc3ccccc3c1CCS2=O)c1ccc(F)cc1 \|(4.75,.43,;3.27,.83,;2.87,2.31,;2.18,-.26,;1.41,-1.6,;-.13,-1.6,;-.9,-.26,;-.13,1.07,;1.41,1.07,;-1.67,1.07,;-1.2,2.53,;-2.44,3.44,;-2.6,4.97,;-4.01,5.6,;-5.26,4.69,;-5.1,3.16,;-3.69,2.53,;-3.21,1.07,;-3.98,-.26,;-3.21,-1.6,;-1.67,-1.6,;-.9,-2.93,;2.95,-1.6,;2.18,-2.93,;2.95,-4.26,;4.49,-4.26,;5.26,-5.6,;5.26,-2.93,;4.49,-1.6,)\|
BDBM177955	CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 \|(3.6,-.91,;2.11,-.51,;1.71,.98,;1.02,-1.6,;1.79,-2.93,;3.33,-2.93,;4.1,-4.26,;5.64,-4.26,;6.41,-2.93,;5.64,-1.6,;4.1,-1.6,;.25,-2.93,;-1.29,-2.93,;-2.06,-1.6,;-1.29,-.26,;.25,-.26,;-2.83,-2.93,;-4.37,-2.93,;-5.14,-1.6,;-4.37,-.26,;-2.83,-.26,;-2.35,1.2,;-3.6,2.11,;-3.76,3.64,;-5.17,4.26,;-6.41,3.36,;-6.25,1.83,;-4.84,1.2,)\|
BDBM172415	Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:33:32:24.25.31:27.29.28\|
BDBM172416	C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnn[nH]1 \|r,TLB:9:8:4.3.5:1.7.0\|
BDBM172417	C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1nnc[nH]1 \|r,TLB:9:8:4.3.5:1.7.0\|
BDBM172418	C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cnccn1 \|r,TLB:9:8:4.3.5:1.7.0\|
BDBM172419	COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172420	CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:31:30:22.23.29:25.27.26\|
BDBM172421	CCN(CC)C(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:32:31:23.24.30:26.28.27\|
BDBM172422	OC(=O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172424	OC(=O)CCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:29:28:20.21.27:23.25.24\|
BDBM172425	OC(=O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172426	CS(=O)(=O)NCCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:31:30:22.23.29:25.27.26\|
BDBM172427	CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:30:29:21.22.28:24.26.25\|
BDBM172428	CCN(CC)C(=O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:32:31:23.24.30:26.28.27\|
BDBM172429	CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)C1 \|r,THB:31:30:22.23.29:25.27.26\|
BDBM172430	O=C1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)N1 \|r,THB:24:23:15.16.22:18.20.19\|
BDBM172432	C([C@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:25:24:16.17.23:19.21.20\|
BDBM172433	C([C@@H]1COCCN1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:25:24:16.17.23:19.21.20\|
BDBM172434	Cn1ccnc1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:32:31:23.24.30:26.28.27\|
BDBM172435	OC(=O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:29:28:20.21.27:23.25.24\|
BDBM172436	OC(=O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:29:28:20.21.27:23.25.24\|
BDBM172437	C(c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)c1cnccn1 \|r,THB:19:18:10.11.17:13.15.14\|
BDBM172438	Cc1nnc(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)[nH]1 \|r,THB:24:23:15.16.22:18.20.19\|
BDBM172439	C(c1nnn[nH]1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:24:23:15.16.22:18.20.19\|
BDBM172440	COc1cnc(cn1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172441	C1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)-c1cnccn1 \|r,THB:7:9:16.17.15:11.13.12\|
BDBM172442	Cc1nc(C)c(s1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:25:24:16.17.23:19.21.20\|
BDBM172443	C1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)-c1ccno1 \|r,THB:7:9:16.17.15:11.13.12\|
BDBM172444	Cc1cc(no1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:24:23:15.16.22:18.20.19\|
BDBM172445	C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1c[nH]cn1 \|r,TLB:9:8:4.3.5:1.7.0\|
BDBM172446	C1C[C@H]2C[C@H](C[C@@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2)n1c(nc2ccccc12)-c1cc[nH]n1 \|r,TLB:9:8:4.3.5:1.7.0\|
BDBM172447	Cn1cc(Cl)c(n1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:25:24:16.17.23:19.21.20\|
BDBM172448	O=c1cc([nH]c(=O)[nH]1)-c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172375	OC(=O)CN1CCC[C@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172376	OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172377	OC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172378	OC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172379	OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172380	OC(=O)CN1CC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172381	OC(=O)CCN1CC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172382	C1CNC(C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:23:22:14.15.21:17.19.18\|
BDBM172383	OC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172384	OC(=O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172385	OC(=O)CN1CC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172386	OC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172387	OC(=O)CCN1CC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172388	NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172389	OC(=O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172390	OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172391	OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172392	OC(=O)CCN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:29:28:20.21.27:23.25.24\|
BDBM172393	NC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172394	OC(=O)CN1\C(N([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c2ccccc12)=C1\CCCN(CC(O)=O)C1 \|r,THB:16:15:7.8.14:10.12.11\|
BDBM172395	OC(=O)CN1CCC(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172396	OC(=O)CCN1CCC(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 \|r,THB:29:28:20.21.27:23.25.24\|
BDBM172397	OC(=O)CN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172398	OC(=O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172399	COCCOCCOCCN1CCC[C@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:34:33:25.26.32:28.30.29\|
BDBM172400	COCCOCCOCCN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:34:33:25.26.32:28.30.29\|
BDBM172401	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c(nc2ccccc12)N1CCC[C@H]1C(O)=O \|r,THB:8:10:17.18.16:12.14.13\|
BDBM172402	OC(=O)[C@@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172403	OC(=O)CN1CCN(CC1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:28:27:19.20.26:22.24.23\|
BDBM172404	OC(=O)[C@H]1CCCN1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172405	OC(=O)C1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 \|r,THB:26:25:17.18.24:20.22.21\|
BDBM172406	OC(=O)CN1CCN(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)CC1 \|r,THB:27:26:18.19.25:21.23.22\|
BDBM172407	CCOC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM172408	NC(=O)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM172409	CONC(=N)\N=c1/[nH]c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM172410	COC(=O)\N=c1/n(CC(N)=O)c2ccccc2n1C1CCN(CC1)C1CCCCCCC1
BDBM172411	OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:23:22:14.15.21:17.19.18\|
BDBM172412	OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 \|r,THB:23:22:14.15.21:17.19.18\|
BDBM172413	OCc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:20:19:11.12.18:14.16.15\|
BDBM15347	CCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C([O-])=O)c1=O
BDBM172414	OC(=O)CO\N=C\c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1 \|r,THB:25:24:16.17.23:19.21.20\|
BDBM182732	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(C([O-])=O)c1=O \|r,THB:8:10:18.16.17:12.14.13\|
BDBM182733	OC(=O)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CC3CCCC(C3)C2)c1=O \|TLB:19:20:27:23.24.25,11:12:15.16:19,20:19:12.18.13:15.16\|
BDBM182734	N[C@]12CCC[C@H](C[C@@H](C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 \|r,TLB:9:7:23:4.2.3,23:24:31:27.28.29,24:23:7.8.6:4.2.3\|
BDBM13117	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 \|r,TLB:10:7:33:2.3\|
BDBM199396	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 \|r,TLB:8:7:31.30:4.3\|
BDBM199337	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1C)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:31.30:4.3\|
BDBM199338	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:27.26:4.3\|
BDBM199339	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C=C)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:28.27:4.3\|
BDBM199340	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:27.26:4.3\|
BDBM199350	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 \|r,TLB:8:7:27.26:4.3\|
BDBM199351	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:31.30:4.3\|
BDBM199352	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NC(C)=O)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:30.29:4.3\|
BDBM199353	COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC \|r,THB:22:21:11.12:18.17\|
BDBM199356	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1C)c45 \|r,TLB:8:7:29.28:4.3\|
BDBM199357	CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1)c45 \|r,TLB:8:7:27.26:4.3\|
BDBM199360	CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 \|r,TLB:8:7:33.32:4.3\|
BDBM199361	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC \|r,THB:26:25:15.16:22.21\|
BDBM199363	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCc1ccccc1)OC \|r,THB:26:25:15.16:22.21\|
BDBM199364	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)S(C)(=O)=O)OC \|r,THB:26:25:15.16:22.21\|
BDBM199365	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC \|r,THB:26:25:15.16:22.21\|
BDBM199366	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CSCc1ccccc1)OC \|r,THB:26:25:15.16:22.21\|
BDBM199367	COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CS(=O)Cc1ccccc1)OC \|r,THB:26:25:15.16:22.21\|
BDBM199370	COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC \|r,THB:35:34:24.25:31.30\|
BDBM220389	CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:28:27:19.20.26:22.24.23\|
BDBM220388	N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:26:25:17.18.24:20.22.21\|
BDBM220390	CC(=O)N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:29:28:20.21.27:23.25.24\|
BDBM220381	CC(=O)N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:29:28:20.21.27:23.25.24\|
BDBM220380	NC1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O \|r,THB:23:22:14.15.21:17.19.18\|
BDBM220383	N[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:26:25:17.18.24:20.22.21\|
BDBM220382	CN(C)C1(CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O)C(O)=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220384	CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:28:27:19.20.26:22.24.23\|
BDBM220391	OC(=O)[C@@H]1CCCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:26:25:17.18.24:20.22.21\|
BDBM220392	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CCC[C@H]2C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220393	OC(=O)[C@@H]1CCCN1c1nc2ccccc2n([C@@H]2C[C@@H]3COC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](CC3)C2)c1=O \|r,THB:26:25:17.18.24:20.22.21\|
BDBM220394	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CCC[C@H]2C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220356	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O \|r,THB:8:10:16.17.15:12.13\|
BDBM220357	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O \|r,THB:8:10:16.17.15:12.13\|
BDBM220358	OC(=O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220371	CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2 \|r,THB:8:9:16.17.15:11.13.12\|
BDBM220372	CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@H]3C(O)=O)c1=O)CC2 \|r,THB:8:9:16.17.15:11.13.12\|
BDBM220373	CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC(C3)C(O)=O)c1=O)CC2 \|r,THB:8:9:16.17.15:11.13.12\|
BDBM220374	OC(=O)C1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCCCC2)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220375	OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:24:23:16.17.22:19.20\|
BDBM220376	OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:25:24:17.18.23:20.21\|
BDBM220359	OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220360	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O \|r,THB:8:10:17.18.16:12.14.13\|
BDBM220361	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O \|r,THB:8:10:17.18.16:12.14.13\|
BDBM220362	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O \|r,THB:8:10:17.18.16:12.14.13\|
BDBM220363	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@@H]2C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220364	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220378	OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220377	OC(=O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220385	CN[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:27:26:18.19.25:21.23.22\|
BDBM220386	CO[C@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:27:26:18.19.25:21.23.22\|
BDBM220387	CO[C@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:27:26:18.19.25:21.23.22\|
BDBM220365	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220366	C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O \|r,THB:8:10:17.18.16:12.14.13\|
BDBM220367	OC(=O)[C@@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3COC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O \|r,THB:25:24:16.17.23:19.21.20\|
BDBM220368	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC[C@H]2C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220369	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220370	CC12C[C@@H]3C[C@H]1C[C@H]2C[C@@H](C3)N1[C@H]2COC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(CC(O)=O)C2)c1=O \|r,THB:9:11:18.19.17:13.15.14\|
BDBM220379	OC(=O)CC1CN(C1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O \|r,THB:26:25:17.18.24:20.22.21\|