smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000000094799	180690851	/nfs/dbraw/zinc/69/08/51/180690851.db2.gz	SECJJYFWXGKHDG-UHFFFAOYSA-N	-1	0	323.367	4.609	50	10		DJCARM
Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000004199909	181084721	/nfs/dbraw/zinc/08/47/21/181084721.db2.gz	VSRZDWAATYOPFA-GJYPPUQNSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000004639597	181131350	/nfs/dbraw/zinc/13/13/50/181131350.db2.gz	SOHPAIYAFCOCAX-FUHIMQAGSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1oc(C(=O)[O-])cc1COc1ccc2oc3ccccc3c2c1	ZINC000005090924	181202389	/nfs/dbraw/zinc/20/23/89/181202389.db2.gz	WQBMIJKBZKREEV-UHFFFAOYSA-N	-1	0	322.316	4.765	50	10		DJCARM
Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000016424952	182044245	/nfs/dbraw/zinc/04/42/45/182044245.db2.gz	VSRZDWAATYOPFA-MDZRGWNJSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000020033502	182181940	/nfs/dbraw/zinc/18/19/40/182181940.db2.gz	SOHPAIYAFCOCAX-SQGPQFPESA-N	-1	0	319.404	4.828	50	10		DJCARM
CCc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000020033489	182182071	/nfs/dbraw/zinc/18/20/71/182182071.db2.gz	BDICVPOUDKGURW-ILZDJORESA-N	-1	0	319.404	4.774	50	10		DJCARM
Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccc(C(=O)[O-])cc1	ZINC000004889230	181168472	/nfs/dbraw/zinc/16/84/72/181168472.db2.gz	NRKHFEIHPKIYNZ-FMQUCBEESA-N	-1	0	320.352	4.603	50	10		DJCARM
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000000378429	563247772	/nfs/dbraw/zinc/24/77/72/563247772.db2.gz	QZZRMXLEHIIWAH-UHFFFAOYSA-N	-1	0	311.768	4.804	50	10		DJCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccccc2C)cc1	ZINC000000094830	563528254	/nfs/dbraw/zinc/52/82/54/563528254.db2.gz	KMXVXUNOQWIIRG-UHFFFAOYSA-N	-1	0	319.404	4.778	50	10		DJCARM
Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000013389519	563909659	/nfs/dbraw/zinc/90/96/59/563909659.db2.gz	CCGQZCZMAOQAAK-FUHIMQAGSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000005612539	181263617	/nfs/dbraw/zinc/26/36/17/181263617.db2.gz	KGUUTDNUDFPRBO-BIENJYKASA-N	-1	0	323.367	4.659	50	10		DJCARM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)c1	ZINC000000094796	563528117	/nfs/dbraw/zinc/52/81/17/563528117.db2.gz	RXHUNISPPXVVMX-UHFFFAOYSA-N	-1	0	323.367	4.609	50	10		DJCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1ccccc1	ZINC000252428439	563883865	/nfs/dbraw/zinc/88/38/65/563883865.db2.gz	DVTSIDXYHFGEGQ-UHFFFAOYSA-N	-1	0	312.760	4.955	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000016448094	182044872	/nfs/dbraw/zinc/04/48/72/182044872.db2.gz	QYCOXSOPVQBWGK-QINHECLXSA-N	-1	0	319.404	4.828	50	10		DJCARM
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000059267172	184135673	/nfs/dbraw/zinc/13/56/73/184135673.db2.gz	XSXZVZNFOJWNCU-MBOZVWFJSA-N	-1	0	319.404	4.774	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000003904809	181055253	/nfs/dbraw/zinc/05/52/53/181055253.db2.gz	PTVNBGNXUYSSTK-ZWOKBUDYSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000004199904	181084369	/nfs/dbraw/zinc/08/43/69/181084369.db2.gz	QYCOXSOPVQBWGK-GUXCAODWSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1oc(C(=O)[O-])cc1COc1ccc(-c2ccccc2)cc1	ZINC000005360995	181234232	/nfs/dbraw/zinc/23/42/32/181234232.db2.gz	CHBRWBFWESIPKH-UHFFFAOYSA-N	-1	0	308.333	4.532	50	10		DJCARM
CCc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000020033484	182182350	/nfs/dbraw/zinc/18/23/50/182182350.db2.gz	BDICVPOUDKGURW-XKGZKEIXSA-N	-1	0	319.404	4.774	50	10		DJCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)cc2)cc1	ZINC000000094828	563528327	/nfs/dbraw/zinc/52/83/27/563528327.db2.gz	DFLMOFZKJGHINO-UHFFFAOYSA-N	-1	0	319.404	4.778	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc1	ZINC000027533875	563925118	/nfs/dbraw/zinc/92/51/18/563925118.db2.gz	PTVNBGNXUYSSTK-HLIPFELVSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc1	ZINC000002495544	563938229	/nfs/dbraw/zinc/93/82/29/563938229.db2.gz	PTVNBGNXUYSSTK-QKLQHJQFSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004959575	181179845	/nfs/dbraw/zinc/17/98/45/181179845.db2.gz	SCALKYQRNSCLNJ-SZVBFZGTSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004151329	181079197	/nfs/dbraw/zinc/07/91/97/181079197.db2.gz	VSRZDWAATYOPFA-BXWFABGCSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004151380	563945333	/nfs/dbraw/zinc/94/53/33/563945333.db2.gz	CCGQZCZMAOQAAK-ABSDTBQOSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1ccc2c(c1C)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000000094428	180690763	/nfs/dbraw/zinc/69/07/63/180690763.db2.gz	PTWQWLFQYBEVEG-UWVAXJGDSA-N	-1	0	319.404	4.828	50	10		DJCARM
CSc1ccc(-n2c(C)c(C(=O)[O-])cc2-c2ccccc2)cc1	ZINC000000114943	563219302	/nfs/dbraw/zinc/21/93/02/563219302.db2.gz	QBOWQXIOUVDLBT-UHFFFAOYSA-N	-1	0	323.417	4.873	50	10		DJCARM
Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000002873243	563941061	/nfs/dbraw/zinc/94/10/61/563941061.db2.gz	CCGQZCZMAOQAAK-SQGPQFPESA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000004810334	181154557	/nfs/dbraw/zinc/15/45/57/181154557.db2.gz	QYCOXSOPVQBWGK-YRNRMSPPSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004959573	181179803	/nfs/dbraw/zinc/17/98/03/181179803.db2.gz	SCALKYQRNSCLNJ-HHXXYDBFSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000242554622	257259372	/nfs/dbraw/zinc/25/93/72/257259372.db2.gz	MPJSOBZFPORMCY-UHFFFAOYSA-N	-1	0	306.321	4.967	50	10		DJCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1cnc2ccccc2c1	ZINC000000464739	332853288	/nfs/dbraw/zinc/85/32/88/332853288.db2.gz	BWYZLKHXRFEGHC-UHFFFAOYSA-N	-1	0	319.191	4.859	50	10		DJCARM
[O-]c1csc2nnc(-c3ccccc3)c(-c3ccccc3)c12	ZINC000000383999	563248405	/nfs/dbraw/zinc/24/84/05/563248405.db2.gz	NXVOPFJBDOQYFF-UHFFFAOYSA-N	-1	0	304.374	4.731	50	10		DJCARM
Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000000094874	563528128	/nfs/dbraw/zinc/52/81/28/563528128.db2.gz	VCTSHMIEPPIWOT-UHFFFAOYSA-N	-1	0	311.406	4.531	50	10		DJCARM
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004140506	181078227	/nfs/dbraw/zinc/07/82/27/181078227.db2.gz	LDQLPRPWQWKHCD-UWVAXJGDSA-N	-1	0	319.404	4.828	50	10		DJCARM
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004168355	181081320	/nfs/dbraw/zinc/08/13/20/181081320.db2.gz	XSXZVZNFOJWNCU-HLIPFELVSA-N	-1	0	319.404	4.774	50	10		DJCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(F)c(F)c1	ZINC000000280557	563629314	/nfs/dbraw/zinc/62/93/14/563629314.db2.gz	QPTZVPUIHBBZNP-UHFFFAOYSA-N	-1	0	304.123	4.589	50	10		DJCARM
Cc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004151327	563913718	/nfs/dbraw/zinc/91/37/18/563913718.db2.gz	VSRZDWAATYOPFA-FCEWJHQRSA-N	-1	0	305.377	4.520	50	10		DJCARM
Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000020033493	182182285	/nfs/dbraw/zinc/18/22/85/182182285.db2.gz	SOHPAIYAFCOCAX-ABSDTBQOSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100490634	563551033	/nfs/dbraw/zinc/55/10/33/563551033.db2.gz	XKAOEFUFPBWPQL-VHEBQXMUSA-N	-1	0	312.760	4.955	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000004363244	181102332	/nfs/dbraw/zinc/10/23/32/181102332.db2.gz	PTVNBGNXUYSSTK-UWVAXJGDSA-N	-1	0	319.404	4.828	50	10		DJCARM
O=C([O-])c1cccc2nc3c4ccccc4c4ccccc4c3nc21	ZINC000004017449	181063204	/nfs/dbraw/zinc/06/32/04/181063204.db2.gz	JLRDHQQYHWFUQX-UHFFFAOYSA-N	-1	0	324.339	4.788	50	10		DJCARM
Cc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000004810337	181154418	/nfs/dbraw/zinc/15/44/18/181154418.db2.gz	QYCOXSOPVQBWGK-FTRWYGJKSA-N	-1	0	319.404	4.828	50	10		DJCARM
O=C1NC(=S)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)S1	ZINC000013615148	563466844	/nfs/dbraw/zinc/46/68/44/563466844.db2.gz	HVNNTJAYCOJKHU-GHXNOFRVSA-N	-1	0	321.810	4.725	50	10		DJCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1cccc2cccnc21	ZINC000000464199	563617822	/nfs/dbraw/zinc/61/78/22/563617822.db2.gz	HIIQBCNXDVRXTR-UHFFFAOYSA-N	-1	0	319.191	4.859	50	10		DJCARM
Cc1cc(C)c2c(c1)N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000013389521	563909612	/nfs/dbraw/zinc/90/96/12/563909612.db2.gz	CCGQZCZMAOQAAK-MBOZVWFJSA-N	-1	0	319.404	4.828	50	10		DJCARM
CCc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000000094431	180690611	/nfs/dbraw/zinc/69/06/11/180690611.db2.gz	BDICVPOUDKGURW-YVWKXTFCSA-N	-1	0	319.404	4.774	50	10		DJCARM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	ZINC000004172190	181081570	/nfs/dbraw/zinc/08/15/70/181081570.db2.gz	QQFIKDKDKKJVEU-GJYPPUQNSA-N	-1	0	323.367	4.659	50	10		DJCARM
O=C([O-])c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	ZINC000004190399	181084157	/nfs/dbraw/zinc/08/41/57/181084157.db2.gz	SUYOJVPZLZHDIK-UHFFFAOYSA-N	-1	0	324.339	4.788	50	10		DJCARM
Cc1cc(C)c2c(c1)N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000004199912	181084836	/nfs/dbraw/zinc/08/48/36/181084836.db2.gz	CCGQZCZMAOQAAK-UWVAXJGDSA-N	-1	0	319.404	4.828	50	10		DJCARM
Cc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000006721367	181376438	/nfs/dbraw/zinc/37/64/38/181376438.db2.gz	SCALKYQRNSCLNJ-KVSKMBFKSA-N	-1	0	305.377	4.520	50	10		DJCARM
O=C([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000006750269	181383277	/nfs/dbraw/zinc/38/32/77/181383277.db2.gz	KPXKGZSDHYHPFB-UHFFFAOYSA-N	-1	0	317.388	4.721	50	10		DJCARM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1	ZINC000000094792	563528457	/nfs/dbraw/zinc/52/84/57/563528457.db2.gz	ZQWBTYUDUQQPHQ-UHFFFAOYSA-N	-1	0	323.367	4.609	50	10		DJCARM
O=C(Nc1ccc(Cl)cc1)c1sc2ccccc2c1[O-]	ZINC000045068747	563877549	/nfs/dbraw/zinc/87/75/49/563877549.db2.gz	XYWJUKHDRSPPFB-UHFFFAOYSA-N	-1	0	303.770	4.513	50	10		DJCARM
Cc1cccc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000014165862	563910197	/nfs/dbraw/zinc/91/01/97/563910197.db2.gz	SCALKYQRNSCLNJ-IEZWGBDMSA-N	-1	0	305.377	4.520	50	10		DJCARM
CCc1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004168290	181080980	/nfs/dbraw/zinc/08/09/80/181080980.db2.gz	NJDLNYNHYLVXMR-SQGPQFPESA-N	-1	0	319.404	4.774	50	10		DJCARM
Cc1ccc(C)c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000020033497	182182273	/nfs/dbraw/zinc/18/22/73/182182273.db2.gz	SOHPAIYAFCOCAX-MBOZVWFJSA-N	-1	0	319.404	4.828	50	10		DJCARM
O=C1NC(=S)C(=Cc2ccc(-c3cccc(Cl)c3)o2)S1	ZINC000013615144	563466824	/nfs/dbraw/zinc/46/68/24/563466824.db2.gz	VURVLMIQBMKYOF-GHXNOFRVSA-N	-1	0	321.810	4.725	50	10		DJCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(F)cc2)cc1	ZINC000000094859	563528367	/nfs/dbraw/zinc/52/83/67/563528367.db2.gz	LGQCXWQRMIKQCD-UHFFFAOYSA-N	-1	0	323.367	4.609	50	10		DJCARM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2cccs2)cc1	ZINC000000094870	563528429	/nfs/dbraw/zinc/52/84/29/563528429.db2.gz	GPCKZFBQUKPEKX-UHFFFAOYSA-N	-1	0	311.406	4.531	50	10		DJCARM
Cc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000001461962	563920722	/nfs/dbraw/zinc/92/07/22/563920722.db2.gz	SCALKYQRNSCLNJ-VDZJLULYSA-N	-1	0	305.377	4.520	50	10		DJCARM
CCc1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004140514	181078129	/nfs/dbraw/zinc/07/81/29/181078129.db2.gz	BDICVPOUDKGURW-IMFGXOCKSA-N	-1	0	319.404	4.774	50	10		DJCARM
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000004168352	181081178	/nfs/dbraw/zinc/08/11/78/181081178.db2.gz	XSXZVZNFOJWNCU-UWVAXJGDSA-N	-1	0	319.404	4.774	50	10		DJCARM
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2	ZINC000059267171	184135857	/nfs/dbraw/zinc/13/58/57/184135857.db2.gz	XSXZVZNFOJWNCU-FUHIMQAGSA-N	-1	0	319.404	4.774	50	10		DJCARM