smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccnc1	ZINC000001436809	204007627	/nfs/dbraw/zinc/00/76/27/204007627.db2.gz	LIDXYOMKQNJGAM-RDPIHGLISA-N	1	3	357.504	3.649	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(N(C)C)cc1	ZINC000002270124	204032041	/nfs/dbraw/zinc/03/20/41/204032041.db2.gz	PEBAXCQHJCPYGL-JHDSZEHQSA-N	1	3	365.568	3.920	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001833547	520567620	/nfs/dbraw/zinc/56/76/20/520567620.db2.gz	YXDCAEZGBASRPM-DZBQEORWSA-N	1	3	367.496	3.763	50	30		FHEAHO
Cc1c(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C	ZINC000072479764	571319154	/nfs/dbraw/zinc/31/91/54/571319154.db2.gz	FHLBLBQSFOVSSN-QFIPXVFZSA-N	1	3	350.510	3.994	50	30		FHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccc(O)cc1	ZINC000002266403	210388383	/nfs/dbraw/zinc/38/83/83/210388383.db2.gz	ZHWYYRMKYPRLLP-JJBLJPBOSA-N	1	3	358.488	3.964	50	30		FHEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccc(O)cc1	ZINC000002266405	210388019	/nfs/dbraw/zinc/38/80/19/210388019.db2.gz	ZHWYYRMKYPRLLP-BKAYVGFPSA-N	1	3	358.488	3.964	50	30		FHEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004786006	571236196	/nfs/dbraw/zinc/23/61/96/571236196.db2.gz	ZOZJZCZSQAPROD-WBRURWICSA-N	1	3	372.515	3.960	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785519	571236190	/nfs/dbraw/zinc/23/61/90/571236190.db2.gz	MZLOZSCQBDNRFY-VUFYJBQKSA-N	1	3	352.525	3.863	50	30		FHEAHO
CCN(CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000076089755	571274282	/nfs/dbraw/zinc/27/42/82/571274282.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	1	3	363.505	3.781	50	30		FHEAHO
CCN(CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076089755	571274283	/nfs/dbraw/zinc/27/42/83/571274283.db2.gz	QYBZHEASSIVDSL-QFIPXVFZSA-N	1	3	363.505	3.781	50	30		FHEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1cccnc1	ZINC000001436811	571098328	/nfs/dbraw/zinc/09/83/28/571098328.db2.gz	LIDXYOMKQNJGAM-JHDSZEHQSA-N	1	3	357.504	3.649	50	30		FHEAHO
Cc1c(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C	ZINC000072479763	571319147	/nfs/dbraw/zinc/31/91/47/571319147.db2.gz	FHLBLBQSFOVSSN-JOCHJYFZSA-N	1	3	350.510	3.994	50	30		FHEAHO
Cc1ccc(C2(CN3CCC(C#N)(c4ccccc4)CC3)CC[NH2+]CC2)nc1	ZINC000065525975	221229787	/nfs/dbraw/zinc/22/97/87/221229787.db2.gz	AXIHVEYPGNWJHF-UHFFFAOYSA-N	1	3	374.532	3.569	50	30		FHEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc(O)cc1	ZINC000004786007	571236200	/nfs/dbraw/zinc/23/62/00/571236200.db2.gz	ZOZJZCZSQAPROD-OJSPLJLUSA-N	1	3	372.515	3.960	50	30		FHEAHO
CCN(CCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000076089759	571274265	/nfs/dbraw/zinc/27/42/65/571274265.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	1	3	363.505	3.781	50	30		FHEAHO
CCN(CCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076089759	571274266	/nfs/dbraw/zinc/27/42/66/571274266.db2.gz	QYBZHEASSIVDSL-JOCHJYFZSA-N	1	3	363.505	3.781	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1OC	ZINC000004785520	520567178	/nfs/dbraw/zinc/56/71/78/520567178.db2.gz	MZLOZSCQBDNRFY-CCRNYGKSSA-N	1	3	352.525	3.863	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(N(C)C)cc1	ZINC000002270126	571294180	/nfs/dbraw/zinc/29/41/80/571294180.db2.gz	PEBAXCQHJCPYGL-RDPIHGLISA-N	1	3	365.568	3.920	50	30		FHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001833549	520567513	/nfs/dbraw/zinc/56/75/13/520567513.db2.gz	YXDCAEZGBASRPM-JVVDOCDTSA-N	1	3	367.496	3.763	50	30		FHEAHO