smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1cccnc1	ZINC000159544152	232242216	/nfs/dbraw/zinc/24/22/16/232242216.db2.gz	GSTTZQYNFFKFCD-MRVPVSSYSA-N	0	2	294.713	3.071	20	70		CGIDLN
C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1cccnc1	ZINC000159544027	533744777	/nfs/dbraw/zinc/74/47/77/533744777.db2.gz	GSTTZQYNFFKFCD-QMMMGPOBSA-N	0	2	294.713	3.071	20	70		CGIDLN
C[C@@H]1CC[C@H](C)N1C(=O)c1cc(F)cc(Cl)c1O	ZINC000160406879	321851074	/nfs/dbraw/zinc/85/10/74/321851074.db2.gz	XNDWWQSENSFXLM-OCAPTIKFSA-N	0	2	271.719	3.198	20	70		CGIDLN
O=C(c1cc(F)cc(Cl)c1O)N1C[C@@H]2CCC[C@@H]2C1	ZINC000159422272	304494964	/nfs/dbraw/zinc/49/49/64/304494964.db2.gz	CJWONRMOUHAVAL-DTORHVGOSA-N	0	2	283.730	3.057	20	70		CGIDLN
O=C(N[C@@H]1C=CCCC1)c1cc(F)cc(Cl)c1O	ZINC000160381655	372242956	/nfs/dbraw/zinc/24/29/56/372242956.db2.gz	JHSLYXYZDKVWIY-SECBINFHSA-N	0	2	269.703	3.023	20	70		CGIDLN
CCn1nc(C)c(Nc2nc(C(C)(C)C)ns2)c1C	ZINC000159681175	372167951	/nfs/dbraw/zinc/16/79/51/372167951.db2.gz	OPDISTKOYPZYHT-UHFFFAOYSA-N	0	2	279.413	3.412	20	70		CGIDLN
Cc1cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1	ZINC000160212835	372225594	/nfs/dbraw/zinc/22/55/94/372225594.db2.gz	SJPKGPYFKXHQQB-GUYCJALGSA-N	0	2	296.418	3.026	20	70		CGIDLN
O=C(N[C@H]1C=CCCC1)c1cc(F)cc(Cl)c1O	ZINC000160381510	372243017	/nfs/dbraw/zinc/24/30/17/372243017.db2.gz	JHSLYXYZDKVWIY-VIFPVBQESA-N	0	2	269.703	3.023	20	70		CGIDLN
Cc1cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C)[nH+]1	ZINC000160212676	372226572	/nfs/dbraw/zinc/22/65/72/372226572.db2.gz	SJPKGPYFKXHQQB-SUMWQHHRSA-N	0	2	296.418	3.026	20	70		CGIDLN
CCSc1cccc(C(=O)Nc2ccc3nn[nH]c3c2)c1	ZINC000160955720	372291262	/nfs/dbraw/zinc/29/12/62/372291262.db2.gz	QRAJMWVBBQNVIV-UHFFFAOYSA-N	0	2	298.371	3.322	20	70		CGIDLN
Cc1cccc(NC(=O)C2=NN(c3ccccc3)CC2=O)c1	ZINC000216916718	302004450	/nfs/dbraw/zinc/00/44/50/302004450.db2.gz	STVXGVHECRXMQT-UHFFFAOYSA-N	0	2	293.326	3.139	20	70		CGIDLN
O=C(c1c(O)cc(F)cc1F)N1CC[C@@H]2CCCC[C@@H]21	ZINC000160335879	542154003	/nfs/dbraw/zinc/15/40/03/542154003.db2.gz	UENKYTCPBGTXDD-CABZTGNLSA-N	0	2	281.302	3.075	20	70		CGIDLN
O=C(c1cc(F)cc(Cl)c1O)N1C[C@@H]2CCC[C@H]2C1	ZINC000159422595	372142840	/nfs/dbraw/zinc/14/28/40/372142840.db2.gz	CJWONRMOUHAVAL-IUCAKERBSA-N	0	2	283.730	3.057	20	70		CGIDLN
C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(F)cc(Cl)c1O	ZINC000160407140	372244830	/nfs/dbraw/zinc/24/48/30/372244830.db2.gz	XNDWWQSENSFXLM-HTQZYQBOSA-N	0	2	271.719	3.198	20	70		CGIDLN
CC[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccc(F)cc1	ZINC000161102898	372301964	/nfs/dbraw/zinc/30/19/64/372301964.db2.gz	LRDHMHXBAQMECM-CYBMUJFWSA-N	0	2	298.321	3.229	20	70		CGIDLN
C[C@H]1CC[C@H](C)N1C(=O)c1cc(F)cc(Cl)c1O	ZINC000160407019	372244617	/nfs/dbraw/zinc/24/46/17/372244617.db2.gz	XNDWWQSENSFXLM-YUMQZZPRSA-N	0	2	271.719	3.198	20	70		CGIDLN
CC[C@@H](NC(=O)C(F)(F)F)c1ccc(F)cc1F	ZINC000217847903	346291545	/nfs/dbraw/zinc/29/15/45/346291545.db2.gz	ABFORORTDMCWJG-SECBINFHSA-N	0	2	267.197	3.094	20	70		CGIDLN
CC(C)(C)c1nsc(Nc2ccn(CC(F)F)n2)n1	ZINC000159834983	372185569	/nfs/dbraw/zinc/18/55/69/372185569.db2.gz	YVWMLEXMHQEMGP-UHFFFAOYSA-N	0	2	287.339	3.041	20	70		CGIDLN
Cc1ccc(C(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1	ZINC000160065826	372207905	/nfs/dbraw/zinc/20/79/05/372207905.db2.gz	PZAYEZQBBOBOAF-UHFFFAOYSA-N	0	2	297.402	3.101	20	70		CGIDLN
Cc1ccc(NC(=O)C2=NN(c3ccccc3)CC2=O)cc1	ZINC000216916936	301646286	/nfs/dbraw/zinc/64/62/86/301646286.db2.gz	PSAJODGKTDDTBU-UHFFFAOYSA-N	0	2	293.326	3.139	20	70		CGIDLN
CC[C@H](NC(=O)C(F)(F)F)c1ccc(F)cc1F	ZINC000217847829	346291588	/nfs/dbraw/zinc/29/15/88/346291588.db2.gz	ABFORORTDMCWJG-VIFPVBQESA-N	0	2	267.197	3.094	20	70		CGIDLN
O=C(c1cc(F)cc(Cl)c1O)N1CCC2(CCC2)C1	ZINC000160524561	372254283	/nfs/dbraw/zinc/25/42/83/372254283.db2.gz	SYAKIDDLHBXLDP-UHFFFAOYSA-N	0	2	283.730	3.201	20	70		CGIDLN
O=C(c1cc(F)cc(Cl)c1O)N1C[C@H]2CCC[C@@H]2C1	ZINC000159422470	372143257	/nfs/dbraw/zinc/14/32/57/372143257.db2.gz	CJWONRMOUHAVAL-RKDXNWHRSA-N	0	2	283.730	3.057	20	70		CGIDLN
CC[C@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccc(F)cc1	ZINC000161102780	372302397	/nfs/dbraw/zinc/30/23/97/372302397.db2.gz	LRDHMHXBAQMECM-ZDUSSCGKSA-N	0	2	298.321	3.229	20	70		CGIDLN