smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-n2cccc2C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000409015466	257882354	/nfs/dbraw/zinc/88/23/54/257882354.db2.gz	RFHGPDARBWEUOO-MDWZMJQESA-N	-1	1	334.853	3.928	40	10		EHCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1O[C@H](C)CC	ZINC000409348312	564011814	/nfs/dbraw/zinc/01/18/14/564011814.db2.gz	SAZNGKDBEXSWRT-AHEVQNHNSA-N	-1	1	337.466	3.751	40	10		EHCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1O[C@@H](C)CC	ZINC000409348308	564011819	/nfs/dbraw/zinc/01/18/19/564011819.db2.gz	SAZNGKDBEXSWRT-ADVUTCEVSA-N	-1	1	337.466	3.751	40	10		EHCBMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cccc2cc3ccccc3cc12	ZINC000001580992	563393952	/nfs/dbraw/zinc/39/39/52/563393952.db2.gz	VZXTYHSPZZIJRW-UHFFFAOYSA-N	-1	1	332.384	3.748	40	10	in-vitro	EHCBMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cccc2cc3ccccc3cc12	ZINC000001580992	563393954	/nfs/dbraw/zinc/39/39/54/563393954.db2.gz	VZXTYHSPZZIJRW-UHFFFAOYSA-N	-1	1	332.384	3.748	40	10	in-vitro	EHCBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cccc2cc3ccccc3cc12	ZINC000001580992	563393956	/nfs/dbraw/zinc/39/39/56/563393956.db2.gz	VZXTYHSPZZIJRW-UHFFFAOYSA-N	-1	1	332.384	3.748	40	10	in-vitro	EHCBMM
CC(C)CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)SC1=S	ZINC000409042512	564009105	/nfs/dbraw/zinc/00/91/05/564009105.db2.gz	YAGQHACPKAOTQK-SDQBBNPISA-N	-1	1	327.858	3.903	40	10		EHCBMM
O=C1[N-]C(=S)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1	ZINC000001447460	563389886	/nfs/dbraw/zinc/38/98/86/563389886.db2.gz	TYYMHTXGYATKRM-KPKJPENVSA-N	-1	1	332.362	3.980	40	10		EHCBMM
CC(C)n1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000409400083	564012026	/nfs/dbraw/zinc/01/20/26/564012026.db2.gz	OOZJAGOSRURTJH-PDGQHHTCSA-N	-1	1	345.402	3.684	40	10		EHCBMM
CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)cc1	ZINC000100922877	204000089	/nfs/dbraw/zinc/00/00/89/204000089.db2.gz	YBFKGTIQKYKDFQ-UNOMPAQXSA-N	-1	1	333.391	3.916	40	10		EHCBMM
O=C1[N-]C(=S)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	ZINC000016713007	564085466	/nfs/dbraw/zinc/08/54/66/564085466.db2.gz	NYGLSIBLLIHMHR-GHXNOFRVSA-N	-1	1	332.362	3.980	40	10		EHCBMM
O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1cccc2ccccc21	ZINC000006864327	563589298	/nfs/dbraw/zinc/58/92/98/563589298.db2.gz	KGLFHNVMXQRJNY-UHFFFAOYSA-N	-1	1	344.374	3.712	40	10		EHCBMM
COc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC(C)C	ZINC000005481883	563534646	/nfs/dbraw/zinc/53/46/46/563534646.db2.gz	RGBVEJSQHQIBMA-IZZDOVSWSA-N	-1	1	343.857	3.625	40	10		EHCBMM
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O	ZINC000004523151	563504181	/nfs/dbraw/zinc/50/41/81/563504181.db2.gz	XLFWWVGLOLLVHO-VHEBQXMUSA-N	-1	1	343.364	3.790	40	10		EHCBMM
CC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3cccc(C)c3)c2=O)cc1	ZINC000408529247	563415706	/nfs/dbraw/zinc/41/57/06/563415706.db2.gz	IWLQINWFPRVJFL-UNOMPAQXSA-N	-1	1	333.391	3.916	40	10		EHCBMM
CC1=CC(C)(C)N(C)c2ccc(C=C3SC(=S)[N-]C3=O)cc21	ZINC000208448296	241068660	/nfs/dbraw/zinc/06/86/60/241068660.db2.gz	JJHANEJYXOLXOU-RIYZIHGNSA-N	-1	1	330.478	3.807	40	10		EHCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccccc1F	ZINC000408996058	564008702	/nfs/dbraw/zinc/00/87/02/564008702.db2.gz	NWGITJZLCBKABK-ZSOIEALJSA-N	-1	1	332.425	3.722	40	10		EHCBMM
Cc1cc(SCC(=O)c2ccc([O-])c(O)c2)nc2ccccc12	ZINC000000798778	564001845	/nfs/dbraw/zinc/00/18/45/564001845.db2.gz	NDUNCUKJSWCQAS-UHFFFAOYSA-N	-1	1	325.389	3.929	40	10		EHCBMM
CCOc1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1	ZINC000007154785	564015368	/nfs/dbraw/zinc/01/53/68/564015368.db2.gz	VXGOEVDAHVMKRJ-YBEGLDIGSA-N	-1	1	342.420	3.817	40	10		EHCBMM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000100922828	219111596	/nfs/dbraw/zinc/11/15/96/219111596.db2.gz	SKFPAKKXKSTCIR-WQRHYEAKSA-N	-1	1	349.390	3.720	40	10		EHCBMM
Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000100922828	219111597	/nfs/dbraw/zinc/11/15/97/219111597.db2.gz	SKFPAKKXKSTCIR-WQRHYEAKSA-N	-1	1	349.390	3.720	40	10		EHCBMM
O=C1[N-]C(=S)S/C1=C/c1cccc(OCc2ccccc2F)c1	ZINC000059232908	564050550	/nfs/dbraw/zinc/05/05/50/564050550.db2.gz	PGXQINZMMDHTFI-OQLLNIDSSA-N	-1	1	345.420	3.894	40	10		EHCBMM
CN1CC(=O)c2cc(O)c([O-])cc2[C@H]1c1c(Cl)cccc1Cl	ZINC000024219156	563869855	/nfs/dbraw/zinc/86/98/55/563869855.db2.gz	WXESLESQBSLNSD-INIZCTEOSA-N	-1	1	338.190	3.622	40	10		EHCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2ncccc2c1	ZINC000408965587	564008379	/nfs/dbraw/zinc/00/83/79/564008379.db2.gz	JBBVGYVEFQZGEB-LICLKQGHSA-N	-1	1	349.415	3.966	40	10		EHCBMM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2	ZINC000226861338	242117298	/nfs/dbraw/zinc/11/72/98/242117298.db2.gz	DRUOGYMYYHKWRI-UHFFFAOYSA-N	-1	1	339.416	3.753	40	10		EHCBMM
Cc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1[N+](=O)[O-]	ZINC000013546842	563700879	/nfs/dbraw/zinc/70/08/79/563700879.db2.gz	YYKNERZDMBFTSB-NTUHNPAUSA-N	-1	1	346.389	3.652	40	10		EHCBMM
O=C1[N-]C(=S)S/C1=C\c1cccc(OCc2cccc(F)c2)c1	ZINC000408532219	563422449	/nfs/dbraw/zinc/42/24/49/563422449.db2.gz	SUCCZUCOWKJXHO-DHDCSXOGSA-N	-1	1	345.420	3.894	40	10		EHCBMM
Cc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c1[O-]	ZINC000005923002	1033554598	/nfs/dbraw/zinc/55/45/98/1033554598.db2.gz	IMWWNIPSXVIARR-UHFFFAOYSA-N	-1	1	332.208	3.808	40	10		EHCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1C1CCCC1	ZINC000033696058	564129696	/nfs/dbraw/zinc/12/96/96/564129696.db2.gz	YBUXBBGHBUUDSX-UYRXBGFRSA-N	-1	1	349.434	3.681	40	10		EHCBMM
Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000016284827	563807845	/nfs/dbraw/zinc/80/78/45/563807845.db2.gz	SGKJANOENHPORO-WJDWOHSUSA-N	-1	1	349.390	3.720	40	10		EHCBMM
CN1CC(=O)c2cc(O)c([O-])cc2[C@@H]1c1c(Cl)cccc1Cl	ZINC000024219148	563869790	/nfs/dbraw/zinc/86/97/90/563869790.db2.gz	WXESLESQBSLNSD-MRXNPFEDSA-N	-1	1	338.190	3.622	40	10		EHCBMM
CCc1ccccc1-n1c(C)cc(C=C2SC(=O)[N-]C2=O)c1C	ZINC000016162512	563805229	/nfs/dbraw/zinc/80/52/29/563805229.db2.gz	AQICXVWPLBXISM-YBEGLDIGSA-N	-1	1	326.421	3.980	40	10		EHCBMM
Cc1cc2c(cc1C=C1SC(=O)[N-]C1=O)C(C)=CC(C)(C)N2C	ZINC000208454527	241067468	/nfs/dbraw/zinc/06/74/68/241067468.db2.gz	BTYHRZFFQUJRJP-OVCLIPMQSA-N	-1	1	328.437	3.951	40	10		EHCBMM
CC1(C)OC(=CC=C2SC(=S)[N-]C2=O)C=C(c2ccccc2)O1	ZINC000005465135	564032355	/nfs/dbraw/zinc/03/23/55/564032355.db2.gz	WSQKRYJRRFLORP-RXAUVDRZSA-N	-1	1	345.445	3.726	40	10		EHCBMM
Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NNc1ccccc1)C2=O	ZINC000017303088	563842649	/nfs/dbraw/zinc/84/26/49/563842649.db2.gz	XLFWWVGLOLLVHO-HNENSFHCSA-N	-1	1	343.364	3.790	40	10		EHCBMM
O=C1[N-]C(=S)S/C1=C\c1ccccc1OCc1cccc(F)c1	ZINC000408533524	563423334	/nfs/dbraw/zinc/42/33/34/563423334.db2.gz	YVDZMWCGVSHMJD-DHDCSXOGSA-N	-1	1	345.420	3.894	40	10		EHCBMM
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccccc1	ZINC000004523123	210213689	/nfs/dbraw/zinc/21/36/89/210213689.db2.gz	AQNYJBKPOPUIHV-VHEBQXMUSA-N	-1	1	343.364	3.790	40	10		EHCBMM