smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000005447762	204209129	/nfs/dbraw/zinc/20/91/29/204209129.db2.gz	ANDITESYZDMDFP-UHFFFAOYSA-N	-2	1	362.436	2.771	50	10		FFCAML
Cc1cc([O-])c(Sc2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000004735821	207042976	/nfs/dbraw/zinc/04/29/76/207042976.db2.gz	SKWYNFBOWUSZCC-UHFFFAOYSA-N	-2	1	362.436	2.771	50	10		FFCAML
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)NC2=O)c1	ZINC000003845186	506350095	/nfs/dbraw/zinc/35/00/95/506350095.db2.gz	AYGXCXUMHDVVJU-OZDSWYPASA-N	-2	1	364.498	2.664	50	10		FFCAML
O=C1[N-]C(=S)SC1=Cc1cccc(C=C2SC(=S)[N-]C2=O)c1	ZINC000003845186	506350099	/nfs/dbraw/zinc/35/00/99/506350099.db2.gz	AYGXCXUMHDVVJU-OZDSWYPASA-N	-2	1	364.498	2.664	50	10		FFCAML
Cc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-]	ZINC000012659846	506887728	/nfs/dbraw/zinc/88/77/28/506887728.db2.gz	CTIPGICZGLESJX-WBVHZDCISA-N	-2	1	367.361	2.778	50	10	biogenic	FFCAML
O=c1[nH]c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2[nH]1	ZINC000004732904	506391097	/nfs/dbraw/zinc/39/10/97/506391097.db2.gz	ZRAIVKQTXCKHME-UHFFFAOYSA-N	-2	1	374.205	2.669	50	10		FFCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(C)cc2)C1=O	ZINC000022023115	960939292	/nfs/dbraw/zinc/93/92/92/960939292.db2.gz	SPLWNIMEJCXKMI-PDGQHHTCSA-N	-2	1	374.400	2.656	50	10		FFCAML
Cc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-]	ZINC000012659851	220017118	/nfs/dbraw/zinc/01/71/18/220017118.db2.gz	CTIPGICZGLESJX-DOTOQJQBSA-N	-2	1	367.361	2.778	50	10	biogenic	FFCAML
Cc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-]	ZINC000012659850	206294211	/nfs/dbraw/zinc/29/42/11/206294211.db2.gz	CTIPGICZGLESJX-RDJZCZTQSA-N	-2	1	367.361	2.778	50	10	biogenic	FFCAML
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000002959561	132384422	/nfs/dbraw/zinc/38/44/22/132384422.db2.gz	CPLDTDOMEREJKC-JXMROGBWSA-N	-2	1	360.728	2.851	50	10		FFCAML
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccccc2)n1	ZINC000012616805	220014212	/nfs/dbraw/zinc/01/42/12/220014212.db2.gz	DQPAROZMMGNIBJ-WQLSENKSSA-N	-2	1	359.432	2.514	50	10		FFCAML
CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000096011295	508202531	/nfs/dbraw/zinc/20/25/31/508202531.db2.gz	HLPYCTRROWIIEZ-UHFFFAOYSA-N	-2	1	364.379	2.940	50	10		FFCAML
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000001170519	132380680	/nfs/dbraw/zinc/38/06/80/132380680.db2.gz	CEOMZUDEQWDHMB-MDWZMJQESA-N	-2	1	372.764	2.721	50	10		FFCAML
Cc1ccc(-c2nn(CCC(=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000012377796	506856324	/nfs/dbraw/zinc/85/63/24/506856324.db2.gz	QCXOXVJGRAHISU-JYRVWZFOSA-N	-2	1	373.459	2.822	50	10		FFCAML
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000020344738	220323726	/nfs/dbraw/zinc/32/37/26/220323726.db2.gz	PLUODFJEVWRTQP-VGOFMYFVSA-N	-2	1	369.333	2.511	50	10		FFCAML
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001181852	132380854	/nfs/dbraw/zinc/38/08/54/132380854.db2.gz	XTIAERWYDGPRBL-WUXMJOGZSA-N	-2	1	360.728	2.851	50	10		FFCAML
O=C([O-])CCn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccccc2)n1	ZINC000003270898	727774626	/nfs/dbraw/zinc/77/46/26/727774626.db2.gz	DQPAROZMMGNIBJ-XYOKQWHBSA-N	-2	1	359.432	2.514	50	10		FFCAML
Cc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-]	ZINC000012659848	220017079	/nfs/dbraw/zinc/01/70/79/220017079.db2.gz	CTIPGICZGLESJX-NVXWUHKLSA-N	-2	1	367.361	2.778	50	10	biogenic	FFCAML
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001185900	132380825	/nfs/dbraw/zinc/38/08/25/132380825.db2.gz	HNIAQKUEHGCOQI-KPKJPENVSA-N	-2	1	360.728	2.851	50	10		FFCAML