smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1	ZINC000012946300	570316834	/nfs/dbraw/zinc/31/68/34/570316834.db2.gz	UUDFVAATMRGEIR-CYBMUJFWSA-N	-1	2	395.484	4.446	50	0		GIAALM
O=C([O-])c1cc(-c2cccc(N3C(=O)c4ccccc4C3=O)c2)nc2ccccc21	ZINC000004554355	204052164	/nfs/dbraw/zinc/05/21/64/204052164.db2.gz	HGDOONBSWJYVJA-UHFFFAOYSA-N	-1	2	394.386	4.401	50	0		GIAALM
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1O[P@](=O)([O-])O	ZINC000002168663	570276922	/nfs/dbraw/zinc/27/69/22/570276922.db2.gz	RQAQWBFHPMSXKR-UHFFFAOYSA-N	-1	2	377.720	4.217	50	0	in-vivo	GIAALM
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1O[P@@](=O)([O-])O	ZINC000002168663	570276924	/nfs/dbraw/zinc/27/69/24/570276924.db2.gz	RQAQWBFHPMSXKR-UHFFFAOYSA-N	-1	2	377.720	4.217	50	0	in-vivo	GIAALM
CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(=O)[O-])cc2)C1	ZINC000006429631	204178849	/nfs/dbraw/zinc/17/88/49/204178849.db2.gz	UGRHYWJVPKNNCS-LFIBNONCSA-N	-1	2	388.423	4.007	50	0		GIAALM
CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(=O)[O-])cc2)C1	ZINC000006429631	204178851	/nfs/dbraw/zinc/17/88/51/204178851.db2.gz	UGRHYWJVPKNNCS-LFIBNONCSA-N	-1	2	388.423	4.007	50	0		GIAALM
Cc1cc2sc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)nc2c(C)c1	ZINC000006588859	204186306	/nfs/dbraw/zinc/18/63/06/204186306.db2.gz	AAAVOBBVQMOJDS-UHFFFAOYSA-N	-1	2	396.877	4.066	50	0		GIAALM
O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2	ZINC000004551404	204051749	/nfs/dbraw/zinc/05/17/49/204051749.db2.gz	ITRHUIJAZOOGTM-UHFFFAOYSA-N	-1	2	386.473	4.073	50	0		GIAALM
Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)[O-]	ZINC000058354936	206099486	/nfs/dbraw/zinc/09/94/86/206099486.db2.gz	AKTPJENWGRGXBG-UHFFFAOYSA-N	-1	2	399.799	4.228	50	0		GIAALM
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000065543252	206106045	/nfs/dbraw/zinc/10/60/45/206106045.db2.gz	SJBHRZQISUTKMK-UHFFFAOYSA-N	-1	2	380.636	4.146	50	0		GIAALM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1	ZINC000018212699	570810941	/nfs/dbraw/zinc/81/09/41/570810941.db2.gz	DUBQVPVRLLLWOE-ZLNRFVROSA-N	-1	2	398.462	4.355	50	0		GIAALM
Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)[O-])c1	ZINC000060360618	209000737	/nfs/dbraw/zinc/00/07/37/209000737.db2.gz	IHUIEIGYOOKTDH-UHFFFAOYSA-N	-1	2	380.274	4.171	50	0		GIAALM
C[C@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)C(=O)[O-]	ZINC000170594919	570852735	/nfs/dbraw/zinc/85/27/35/570852735.db2.gz	UMBYMYXWDKNWNM-MRVPVSSYSA-N	-1	2	394.301	4.119	50	0		GIAALM
O=C([O-])c1sccc1Oc1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000008857290	206766769	/nfs/dbraw/zinc/76/67/69/206766769.db2.gz	JIFASMPLQXMIHO-UHFFFAOYSA-N	-1	2	381.456	4.101	50	0		GIAALM
O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1Cl	ZINC000037642016	207169865	/nfs/dbraw/zinc/16/98/65/207169865.db2.gz	OYHFPHWJPVZALY-UHFFFAOYSA-N	-1	2	386.665	4.207	50	0		GIAALM
O=C(c1cccc(F)c1)C1C(=O)[C@@H](c2ccc(O)cc2)N(c2ccccc2)C1=O	ZINC000005614971	570298499	/nfs/dbraw/zinc/29/84/99/570298499.db2.gz	KXQYWDQHMAUNTO-HXUWFJFHSA-N	-1	2	389.382	4.314	50	0		GIAALM
O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1	ZINC000095350088	209005495	/nfs/dbraw/zinc/00/54/95/209005495.db2.gz	ZBWNSPJUVXJTPV-UHFFFAOYSA-N	-1	2	380.636	4.146	50	0		GIAALM
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)ccc12	ZINC000170622069	570879747	/nfs/dbraw/zinc/87/97/47/570879747.db2.gz	RSVYZGVDKPTUGP-UHFFFAOYSA-N	-1	2	391.257	4.035	50	0		GIAALM
O=C([O-])c1cc(NS(=O)(=O)c2cccs2)ccc1N1CCCCCCC1	ZINC000058013925	823354654	/nfs/dbraw/zinc/35/46/54/823354654.db2.gz	TZEJOFADRDQLFY-UHFFFAOYSA-N	-1	2	394.518	4.018	50	0		GIAALM
C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)C(=O)[O-]	ZINC000170594918	570852612	/nfs/dbraw/zinc/85/26/12/570852612.db2.gz	UMBYMYXWDKNWNM-QMMMGPOBSA-N	-1	2	394.301	4.119	50	0		GIAALM
COc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1)oc1ccccc12	ZINC000002701207	209377958	/nfs/dbraw/zinc/37/79/58/209377958.db2.gz	IEEUZIRGRWFUFQ-UHFFFAOYSA-N	-1	2	397.408	4.094	50	0		GIAALM
O=C([O-])c1sccc1S(=O)(=O)Nc1nc2c(ccc3ccccc23)s1	ZINC000012521420	570828350	/nfs/dbraw/zinc/82/83/50/570828350.db2.gz	PWLMVSQOXMSLDH-UHFFFAOYSA-N	-1	2	390.467	4.010	50	0		GIAALM
Cc1cc(S(=O)(=O)Nc2ccccc2-c2cccs2)sc1C(=O)[O-]	ZINC000058370856	570648886	/nfs/dbraw/zinc/64/88/86/570648886.db2.gz	RWFDMMADVUXDFN-UHFFFAOYSA-N	-1	2	379.484	4.284	50	0		GIAALM
O=C([O-])c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2ccccc2F)c1	ZINC000058308548	570725865	/nfs/dbraw/zinc/72/58/65/570725865.db2.gz	BCIDEFWGKKBVJS-UHFFFAOYSA-N	-1	2	387.388	4.117	50	0		GIAALM
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000078869020	222298555	/nfs/dbraw/zinc/29/85/55/222298555.db2.gz	BYJDWWQSCKRJTB-UHFFFAOYSA-N	-1	2	393.770	4.166	50	0		GIAALM
CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(=O)[O-])cc2)C1	ZINC000097993214	570775302	/nfs/dbraw/zinc/77/53/02/570775302.db2.gz	UGRHYWJVPKNNCS-WJDWOHSUSA-N	-1	2	388.423	4.007	50	0		GIAALM
CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(=O)[O-])cc2)C1	ZINC000097993214	570775304	/nfs/dbraw/zinc/77/53/04/570775304.db2.gz	UGRHYWJVPKNNCS-WJDWOHSUSA-N	-1	2	388.423	4.007	50	0		GIAALM