SMILES for C-C motif chemokine 2

63 SMILES Strings for C-C motif chemokine 2

Compound Name	SMILES String
BDBM14027	O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
BDBM14029	[H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N \|r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)\|
BDBM14031	O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
BDBM50257898	CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50257900	CC(C)[C@@]1(CC[C@H](C1)NC1CCSCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50257992	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50257792	CC(C)[C@@]1(CC[C@H](C1)NC1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50331728	CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1 \|r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)\|
BDBM50417674	Nc1nccc2cc(CNCCc3ccccc3)ccc12
BDBM50440542	CC(C)[C@@]1(CC[C@H](C1)NCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440543	CC(C)[C@@]1(CC[C@H](C1)NCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440544	CC(C)[C@@]1(CC[C@H](C1)NCCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440545	CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440546	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440547	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440548	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440549	COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440550	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(O)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440551	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440552	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440553	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(C)cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440554	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440555	COc1ccc2C(CCc2c1OC)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440556	COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2cc1OC \|r\|
BDBM50440557	CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc3OCOc3cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440558	COc1cccc2C(CCCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50440559	CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2c(O)cccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F \|r\|
BDBM50017345	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O \|r\|
BDBM50017346	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O \|r\|
BDBM50017347	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]1(O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]2([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]3([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]4([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OCCCCCN)O[C@@H]5CO)O[C@H]4C([O-])=O)O[C@@H]3CO)O[C@H]2C([O-])=O)O[C@@H]1CO \|r\|
BDBM50585055	[H][C@@]1(O[C@H]2[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](OCCOCCN)O[C@H]2C(O)=O)O[C@H]([C@@H](O[C@]2([H])O[C@H]([C@@H](O[C@]3([H])O[C@H]([C@@H](OS(O)(=O)=O)[C@H](O)[C@H]3OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1OS(O)(=O)=O)C(O)=O \|r\|
BDBM50603097	C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O \|r\|
BDBM50603089	C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O \|r\|
BDBM50603092	CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O \|r\|
BDBM50607769	C[C@@H]1c2ccc(OCCO)cc2C(=CN(C)C1=O)c1c[nH]c(C)n1 \|r,c:13\|
BDBM50607742	CCOc1ccc2C(C)C(=O)N(C)C=Cc2c1 \|c:13\|
BDBM50607743	COCCOc1ccc2[C@@H](C)C(=O)N(C)C=Cc2c1 \|r,c:15\|
BDBM50607744	CC1c2ccc(OCC(C)(C)O)cc2C=CN(C)C1=O \|c:15\|
BDBM50607745	C[C@@H]1c2ccc(OC(CO)CO)cc2C=CN(C)C1=O \|r,c:15\|
BDBM50607746	C[C@@H]1c2ccc(CC3CCOCC3)cc2C=CN(C)C1=O \|r,c:17\|
BDBM50607751	C[C@@H]1c2ccc(cc2C=CN(C)C1=O)C(O)CO \|r,c:9\|
BDBM50607753	CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(C)c2c1 \|r,t:15\|
BDBM50607754	CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(C(N)=O)c2c1 \|r,t:15\|
BDBM50607752	CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=Cc2c1 \|r,c:15\|
BDBM50607747	C[C@@H]1c2ccc(CN3CCOCC3)cc2C=CN(C)C1=O \|r,c:17\|
BDBM50607748	C[C@@H]1c2ccc(CN3CCCC3)cc2C=CN(C)C1=O \|r,c:16\|
BDBM50607749	C[C@@H]1c2ccc(CCO)cc2C=CN(C)C1=O \|r,c:12\|
BDBM50607750	C[C@@H]1c2ccc(cc2C=CN(C)C1=O)C(CO)CO \|r,c:9\|
BDBM50607760	CCOc1ccc2C(C)C(=O)N(C)C=C(c3cc[nH]n3)c2c1 \|t:13\|
BDBM50607763	CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn(C)cn3)c2c1 \|r,t:13\|
BDBM50607765	C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@H](O)CO \|r,c:9\|
BDBM50607766	C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cn[nH]c1)[C@@H](O)CO \|r,c:9\|
BDBM50607770	C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)C(CO)CO \|r,c:9\|
BDBM50607767	C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@H](O)CO \|r,c:9\|
BDBM50607768	C[C@@H]1c2ccc(cc2C(=CN(C)C1=O)c1cnn(C)c1)[C@@H](O)CO \|r,c:9\|
BDBM50607739	C[C@@H]1c2ccccc2C=CN(C)C1=O \|r,c:9\|
BDBM50607755	CCS(=O)(=O)c1ccc2C(C)C(=O)N(C)C=C(c3ccccc3)c2c1 \|t:15\|
BDBM50607756	CCS(=O)(=O)c1ccc2C(C)C(=O)N(C)C=C(c3ccncc3)c2c1 \|t:15\|
BDBM50607757	CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 \|r,t:15\|
BDBM50607758	CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 \|r,t:13\|
BDBM50607759	CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3cn[nH]c3)c2c1 \|r,t:13\|
BDBM50607761	CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]cn3)c2c1 \|r,t:13\|
BDBM50607762	CCOc1ccc2[C@@H](C)C(=O)N(C)C=C(c3c[nH]c(C)n3)c2c1 \|r,t:13\|