smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1ccc(Cl)cn1	ZINC000016160799	563804847	/nfs/dbraw/zinc/80/48/47/563804847.db2.gz	AGSMJNXHJKIASG-ZROIWOOFSA-N	0	2	347.205	4.107	40	10		EICBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2s1	ZINC000100988543	219112493	/nfs/dbraw/zinc/11/24/93/219112493.db2.gz	MSZZBCUCPJAOIO-OAHLLOKOSA-N	0	2	339.445	4.180	40	10		EICBLN
Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2s1	ZINC000016607875	563817672	/nfs/dbraw/zinc/81/76/72/563817672.db2.gz	MSZZBCUCPJAOIO-HNNXBMFYSA-N	0	2	339.445	4.180	40	10		EICBLN
CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC1=S	ZINC000409348270	564011824	/nfs/dbraw/zinc/01/18/24/564011824.db2.gz	SHEMBCLKTWGCGX-UXBLZVDNSA-N	0	2	348.276	4.310	40	10		EICBLN
CC(=Nc1ccccc1Cl)C1C(=O)N(c2ccccc2)N=C1C	ZINC000112110162	564018134	/nfs/dbraw/zinc/01/81/34/564018134.db2.gz	XIXGUZHBBJEXCD-ATVHPVEESA-N	0	2	325.799	4.449	40	10		EICBLN
CC(=Nc1ccccc1Cl)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000112110162	564018135	/nfs/dbraw/zinc/01/81/35/564018135.db2.gz	XIXGUZHBBJEXCD-ATVHPVEESA-N	0	2	325.799	4.449	40	10		EICBLN
CC(Nc1ccccc1Cl)=C1C(C)=NN(c2ccccc2)C1=O	ZINC000112110162	564018136	/nfs/dbraw/zinc/01/81/36/564018136.db2.gz	XIXGUZHBBJEXCD-ATVHPVEESA-N	0	2	325.799	4.449	40	10		EICBLN
CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1	ZINC000013625686	563704243	/nfs/dbraw/zinc/70/42/43/563704243.db2.gz	PXRZLHCQBPSZAN-QGOAFFKASA-N	0	2	338.386	4.110	40	10		EICBLN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1C(C)=Nc1cccnc1	ZINC000013625686	563704247	/nfs/dbraw/zinc/70/42/47/563704247.db2.gz	PXRZLHCQBPSZAN-QGOAFFKASA-N	0	2	338.386	4.110	40	10		EICBLN
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cccnc1	ZINC000013625686	563704252	/nfs/dbraw/zinc/70/42/52/563704252.db2.gz	PXRZLHCQBPSZAN-QGOAFFKASA-N	0	2	338.386	4.110	40	10		EICBLN
CCc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3)C2=O)cc1	ZINC000033304725	563973332	/nfs/dbraw/zinc/97/33/32/563973332.db2.gz	RPUMZHQMCVJAIJ-BRMXFPEKSA-N	0	2	346.386	4.312	40	10		EICBLN
CCOc1ccccc1N=C(C)C1C(=O)N(c2ccccc2)N=C1C	ZINC000112112119	564018185	/nfs/dbraw/zinc/01/81/85/564018185.db2.gz	IFCUIUFIFIWACZ-RGEXLXHISA-N	0	2	335.407	4.194	40	10		EICBLN
CCOc1ccccc1NC(C)=C1C(C)=NN(c2ccccc2)C1=O	ZINC000112112119	564018186	/nfs/dbraw/zinc/01/81/86/564018186.db2.gz	IFCUIUFIFIWACZ-RGEXLXHISA-N	0	2	335.407	4.194	40	10		EICBLN
CCOc1ccccc1N=C(C)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000112112119	564018187	/nfs/dbraw/zinc/01/81/87/564018187.db2.gz	IFCUIUFIFIWACZ-RGEXLXHISA-N	0	2	335.407	4.194	40	10		EICBLN