smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)c1C	ZINC000408893059	570696022	/nfs/dbraw/zinc/69/60/22/570696022.db2.gz	FDJOMGGPRRWZLX-NTEUORMPSA-N	-2	3	370.792	3.329	40	10		FGCBHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000005334154	204203489	/nfs/dbraw/zinc/20/34/89/204203489.db2.gz	KWJLUDJDVNVVFR-YVLHZVERSA-N	-2	3	365.389	3.426	40	10		FGCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000408776287	499594835	/nfs/dbraw/zinc/59/48/35/499594835.db2.gz	YHLWFKJJLUNQPL-MDWZMJQESA-N	-2	3	372.833	3.185	40	10		FGCBHL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)c1	ZINC000408893292	570696127	/nfs/dbraw/zinc/69/61/27/570696127.db2.gz	DPAGLWJWOJOLHU-NTEUORMPSA-N	-2	3	356.765	3.020	40	10		FGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000004867078	132255631	/nfs/dbraw/zinc/25/56/31/132255631.db2.gz	NIDVNKUYNQFOFK-ZROIWOOFSA-N	-2	3	356.765	3.020	40	10		FGCBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)n(C)c2ccccc21)c1c(C)[n-][nH]c1=O	ZINC000409183149	499595953	/nfs/dbraw/zinc/59/59/53/499595953.db2.gz	QHBFVXUCNFFPPO-UHFFFAOYSA-N	-2	3	351.410	3.141	40	10		FGCBHL
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)c1	ZINC000408879041	570694848	/nfs/dbraw/zinc/69/48/48/570694848.db2.gz	DZGFVHFNFCWVIP-NTEUORMPSA-N	-2	3	370.792	3.329	40	10		FGCBHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000016160732	211156747	/nfs/dbraw/zinc/15/67/47/211156747.db2.gz	IIZFTERXRCGJKU-DHDCSXOGSA-N	-2	3	371.780	3.462	40	10		FGCBHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000104975288	222363591	/nfs/dbraw/zinc/36/35/91/222363591.db2.gz	BJEUIDWNNLPRGL-OQLLNIDSSA-N	-2	3	371.780	3.462	40	10		FGCBHL
Cc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000408774282	499594930	/nfs/dbraw/zinc/59/49/30/499594930.db2.gz	BXAKTXGEXPHDAU-MDWZMJQESA-N	-2	3	372.833	3.185	40	10		FGCBHL
CCc1nc(SC(=Cc2ccc(N3CCCC3)cc2C)C(=O)[O-])n[n-]1	ZINC000007342620	494017051	/nfs/dbraw/zinc/01/70/51/494017051.db2.gz	JWLYSHFLFONDSK-RVDMUPIBSA-N	-2	3	358.467	3.494	40	10		FGCBHL
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc([O-])cc2)S1	ZINC000020226892	220320371	/nfs/dbraw/zinc/32/03/71/220320371.db2.gz	UOSHAZXGNIJERC-NVNXTCNLSA-N	-2	3	354.387	3.481	40	10		FGCBHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000101148850	222264162	/nfs/dbraw/zinc/26/41/62/222264162.db2.gz	JBRLTLUCENDCHL-MHWRWJLKSA-N	-2	3	351.362	3.117	40	10		FGCBHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000016160729	220179918	/nfs/dbraw/zinc/17/99/18/220179918.db2.gz	BJEUIDWNNLPRGL-DHDCSXOGSA-N	-2	3	371.780	3.462	40	10		FGCBHL
[O-]c1c(O)c([O-])c(Br)c(Br)c1Br	ZINC000001747827	493798410	/nfs/dbraw/zinc/79/84/10/493798410.db2.gz	ARJKUIKBPQATMT-UHFFFAOYSA-N	-2	3	362.799	3.091	40	10		FGCBHL
O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Cl)c1[O-]	ZINC000013476303	220069648	/nfs/dbraw/zinc/06/96/48/220069648.db2.gz	UCJRZERBHWQWEO-UQCOIBPSSA-N	-2	3	350.646	3.297	40	10		FGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1C	ZINC000408898447	570696507	/nfs/dbraw/zinc/69/65/07/570696507.db2.gz	LJYAVFUVTANUOS-OQLLNIDSSA-N	-2	3	370.792	3.329	40	10		FGCBHL
O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000013476307	206302950	/nfs/dbraw/zinc/30/29/50/206302950.db2.gz	PCXDHHTZCKUWJH-UQCOIBPSSA-N	-2	3	350.646	3.297	40	10		FGCBHL
Cc1ccccc1N1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000408780315	499594864	/nfs/dbraw/zinc/59/48/64/499594864.db2.gz	XFGVZMGVQRZDLL-XYOKQWHBSA-N	-2	3	372.833	3.185	40	10		FGCBHL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2[O-])C1=O	ZINC000408884348	263504532	/nfs/dbraw/zinc/50/45/32/263504532.db2.gz	YPJPLMJRFVBHQR-UVTDQMKNSA-N	-2	3	370.792	3.274	40	10		FGCBHL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000408890887	570695331	/nfs/dbraw/zinc/69/53/31/570695331.db2.gz	HZAHTDGBNVOOFB-XNTDXEJSSA-N	-2	3	370.792	3.274	40	10		FGCBHL
COc1ccc(-n2[n-]c(C)c(C=Nc3cc(C(=O)[O-])ccc3C)c2=O)cc1	ZINC000016347097	211158559	/nfs/dbraw/zinc/15/85/59/211158559.db2.gz	HOAAOTOTJFEABT-BOPFTXTBSA-N	-2	3	365.389	3.420	40	10		FGCBHL
CCc1nc(SC(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)[O-])n[n-]1	ZINC000007342619	494016847	/nfs/dbraw/zinc/01/68/47/494016847.db2.gz	YTEZPEWLZGQERW-RVDMUPIBSA-N	-2	3	358.467	3.494	40	10		FGCBHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)ccc1F	ZINC000226862692	497086353	/nfs/dbraw/zinc/08/63/53/497086353.db2.gz	GWFFOXMIEFJBQU-UHFFFAOYSA-N	-2	3	362.338	3.394	40	10		FGCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)c(C)c1	ZINC000408886973	570695377	/nfs/dbraw/zinc/69/53/77/570695377.db2.gz	NEIHKQJEXDQCOY-NTEUORMPSA-N	-2	3	370.792	3.329	40	10		FGCBHL
O=C([O-])[C@H]1c2cc([O-])c(O)cc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl	ZINC000033414015	494060318	/nfs/dbraw/zinc/06/03/18/494060318.db2.gz	QWRLTPGZLBALJA-UONOGXRCSA-N	-2	3	369.156	3.485	40	10		FGCBHL
O=C([O-])[C@H]1c2cc(O)c([O-])cc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl	ZINC000033414015	494060321	/nfs/dbraw/zinc/06/03/21/494060321.db2.gz	QWRLTPGZLBALJA-UONOGXRCSA-N	-2	3	369.156	3.485	40	10		FGCBHL
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=C[O-]	ZINC000100962823	132233497	/nfs/dbraw/zinc/23/34/97/132233497.db2.gz	KLCVFIVKKSFTLK-BOPFTXTBSA-N	-2	3	366.417	3.179	40	10		FGCBHL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2[O-])C1=O	ZINC000408893761	570695079	/nfs/dbraw/zinc/69/50/79/570695079.db2.gz	HJHNEFUGCDFWOB-UKTHLTGXSA-N	-2	3	356.765	3.020	40	10		FGCBHL