smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408758913	570455021	/nfs/dbraw/zinc/45/50/21/570455021.db2.gz	UQJJJWHKMMRQHM-ANQVYJHKSA-N	-2	0	381.413	2.460	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000006029976	204161070	/nfs/dbraw/zinc/16/10/70/204161070.db2.gz	UQJJJWHKMMRQHM-VYXQJKENSA-N	-2	0	381.413	2.460	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000016292797	570921514	/nfs/dbraw/zinc/92/15/14/570921514.db2.gz	AJYGNBPWKKJFBZ-SJJOQSKNSA-N	-2	0	395.440	2.328	40	30		GEEBRL
O=C([N-]CC[N-]C(=O)[C@@](F)(Cl)C(F)(F)F)[C@@](F)(Cl)C(F)(F)F	ZINC000100614731	526329599	/nfs/dbraw/zinc/32/95/99/526329599.db2.gz	GOSUCCWEBITVHA-WDSKDSINSA-N	-2	0	385.038	2.153	40	30		GEEBRL
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)[O-])(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000514287885	560035830	/nfs/dbraw/zinc/03/58/30/560035830.db2.gz	GKFCVSUZIXNVJF-WRKZTZNSSA-N	-2	0	394.420	2.185	40	30	biogenic,in-vitro	GEEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000408758914	570455427	/nfs/dbraw/zinc/45/54/27/570455427.db2.gz	UQJJJWHKMMRQHM-RKQRPNFGSA-N	-2	0	381.413	2.460	40	30		GEEBRL
O=C([O-])c1ccccc1C1=C([O-])C([O-])=C(c2ccccc2C(=O)[O-])C(=O)C1=O	ZINC000001729920	206390048	/nfs/dbraw/zinc/39/00/48/206390048.db2.gz	YUAMKWYYHCKCSD-UHFFFAOYSA-N	-4	0	380.308	2.473	40	30		GEEBRL
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@](CC(=O)[O-])(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)[O-]	ZINC000514287879	560035813	/nfs/dbraw/zinc/03/58/13/560035813.db2.gz	GKFCVSUZIXNVJF-DZHMXYKDSA-N	-2	0	394.420	2.185	40	30	biogenic,in-vitro	GEEBRL
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408763047	570667708	/nfs/dbraw/zinc/66/77/08/570667708.db2.gz	GYYRROLEZOEOHP-RKQRPNFGSA-N	-2	0	381.413	2.460	40	30		GEEBRL
O=C([O-])c1ccc(/C=N\N2CCN(/N=C\c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000004990726	206581028	/nfs/dbraw/zinc/58/10/28/206581028.db2.gz	RXYHQZINPHMWQQ-JZTLMNBPSA-N	-2	0	380.404	2.069	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408761954	570471265	/nfs/dbraw/zinc/47/12/65/570471265.db2.gz	ITRSQKGDDSAFKR-UMXKZIAQSA-N	-2	0	397.412	2.165	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNc3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408763041	570667467	/nfs/dbraw/zinc/66/74/67/570667467.db2.gz	GYYRROLEZOEOHP-ANQVYJHKSA-N	-2	0	381.413	2.460	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000408761951	570471327	/nfs/dbraw/zinc/47/13/27/570471327.db2.gz	ITRSQKGDDSAFKR-IEEVUCOHSA-N	-2	0	397.412	2.165	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNCc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000016292795	570921604	/nfs/dbraw/zinc/92/16/04/570921604.db2.gz	AJYGNBPWKKJFBZ-NBZOHKLQSA-N	-2	0	395.440	2.328	40	30		GEEBRL
O=C([O-])c1ccc(/C=N/N2CCN(/N=C\c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000017422518	526361280	/nfs/dbraw/zinc/36/12/80/526361280.db2.gz	RXYHQZINPHMWQQ-VOKWCDJLSA-N	-2	0	380.404	2.069	40	30		GEEBRL
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)[O-])(C(=O)OC)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000514287884	560035851	/nfs/dbraw/zinc/03/58/51/560035851.db2.gz	GKFCVSUZIXNVJF-HFQCLQCYSA-N	-2	0	394.420	2.185	40	30	biogenic,in-vitro	GEEBRL
O=C([N-]CC[N-]C(=O)[C@](F)(Cl)C(F)(F)F)[C@](F)(Cl)C(F)(F)F	ZINC000100614736	526329145	/nfs/dbraw/zinc/32/91/45/526329145.db2.gz	GOSUCCWEBITVHA-PHDIDXHHSA-N	-2	0	385.038	2.153	40	30		GEEBRL
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@](CC(=O)[O-])(C(=O)OC)[C@@H]1CC/C(C)=C/C(=O)[O-]	ZINC000514287883	560035809	/nfs/dbraw/zinc/03/58/09/560035809.db2.gz	GKFCVSUZIXNVJF-FTKXOIFDSA-N	-2	0	394.420	2.185	40	30	biogenic,in-vitro	GEEBRL
O=C([N-]CC[N-]C(=O)[C@](F)(Cl)C(F)(F)F)[C@@](F)(Cl)C(F)(F)F	ZINC000100614734	526328862	/nfs/dbraw/zinc/32/88/62/526328862.db2.gz	GOSUCCWEBITVHA-OLQVQODUSA-N	-2	0	385.038	2.153	40	30		GEEBRL
O=C([O-])c1ccc(/C=N/N2CCN(/N=C/c3ccc(C(=O)[O-])cc3)CC2)cc1	ZINC000001700698	212254787	/nfs/dbraw/zinc/25/47/87/212254787.db2.gz	RXYHQZINPHMWQQ-JFMUQQRKSA-N	-2	0	380.404	2.069	40	30		GEEBRL
Cc1ccc(N2C(=O)C(=CNc3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000006029968	570464581	/nfs/dbraw/zinc/46/45/81/570464581.db2.gz	UQJJJWHKMMRQHM-IXJMWADBSA-N	-2	0	381.413	2.460	40	30		GEEBRL
C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408936693	570687239	/nfs/dbraw/zinc/68/72/39/570687239.db2.gz	HERGBBIZINMWQQ-FOWTUZBSSA-N	-2	0	390.351	2.063	40	30		GEEBRL