smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(CCNC=C2C(=O)NC(=S)NC2=O)cc1	ZINC000060862081	658026583	/nfs/dbraw/zinc/02/65/83/658026583.db2.gz	BBZUJBSYBIHPOP-UHFFFAOYSA-N	0	0	354.413	-1.119	20	10		FACDRN
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCNC(=O)C2)c1	ZINC000272643783	483014684	/nfs/dbraw/zinc/01/46/84/483014684.db2.gz	DAEYLJCMNNWUDE-UHFFFAOYSA-N	0	0	356.404	-1.075	20	10		FACDRN
COCCN1C(=O)/C(=C/NNS(=O)(=O)C(C)C)C(=O)NC1=S	ZINC000749969815	658461645	/nfs/dbraw/zinc/46/16/45/658461645.db2.gz	ZVEBAHJUGMSBKG-SOFGYWHQSA-N	0	0	350.422	-1.408	20	10		FACDRN
COCCN1C(=O)/C(=C\NNS(=O)(=O)C(C)C)C(=O)NC1=S	ZINC000749969834	658461620	/nfs/dbraw/zinc/46/16/20/658461620.db2.gz	ZVEBAHJUGMSBKG-VURMDHGXSA-N	0	0	350.422	-1.408	20	10		FACDRN
COC(=O)CNC(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000798134986	658579565	/nfs/dbraw/zinc/57/95/65/658579565.db2.gz	XAFRZLGPJDBDAH-UHFFFAOYSA-N	0	0	359.360	-1.217	20	10		FACDRN
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	ZINC000851687992	658712385	/nfs/dbraw/zinc/71/23/85/658712385.db2.gz	NTFCGZQCQWCCPD-CHWSQXEVSA-N	0	0	355.416	-1.144	20	10		FACDRN
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	ZINC000851687993	658712072	/nfs/dbraw/zinc/71/20/72/658712072.db2.gz	NTFCGZQCQWCCPD-OLZOCXBDSA-N	0	0	355.416	-1.144	20	10		FACDRN
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	ZINC000851687994	658712176	/nfs/dbraw/zinc/71/21/76/658712176.db2.gz	NTFCGZQCQWCCPD-QWHCGFSZSA-N	0	0	355.416	-1.144	20	10		FACDRN
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1	ZINC000851687995	658712379	/nfs/dbraw/zinc/71/23/79/658712379.db2.gz	NTFCGZQCQWCCPD-STQMWFEESA-N	0	0	355.416	-1.144	20	10		FACDRN
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(N)=O)C(=O)C2)c1	ZINC000857535209	658729843	/nfs/dbraw/zinc/72/98/43/658729843.db2.gz	IOPKLKQDPDSNGE-UHFFFAOYSA-N	0	0	370.387	-1.467	20	10		FACDRN
CN1C(=O)C(=CNNc2ccc(S(N)(=O)=O)cn2)C(=O)N(C)C1=O	ZINC000914868018	658050187	/nfs/dbraw/zinc/05/01/87/658050187.db2.gz	INTHKNNOJGEXQA-UHFFFAOYSA-N	0	0	354.348	-1.420	20	10		FACDRN
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCNC(=O)C2)c1	ZINC000920635024	658087478	/nfs/dbraw/zinc/08/74/78/658087478.db2.gz	BLELNKIGYOZKNT-UHFFFAOYSA-N	0	0	371.371	-1.121	20	10		FACDRN
CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)CN1C(=O)CSC1=S)C2	ZINC001144844125	790885691	/nfs/dbraw/zinc/88/56/91/790885691.db2.gz	MOWGKIVOEDDGRV-AWEZNQCLSA-N	0	0	370.456	-1.204	20	10		FACDRN
CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)CN1C(=O)CSC1=S)C2	ZINC001144844129	790885904	/nfs/dbraw/zinc/88/59/04/790885904.db2.gz	MOWGKIVOEDDGRV-CQSZACIVSA-N	0	0	370.456	-1.204	20	10		FACDRN
O=C(CN1C(=O)CSC1=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC001144848601	790885713	/nfs/dbraw/zinc/88/57/13/790885713.db2.gz	SJIYEHYKDOODDL-GKKUVZKPSA-N	0	0	352.390	-3.237	20	10		FACDRN
O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O	ZINC001144848604	790885639	/nfs/dbraw/zinc/88/56/39/790885639.db2.gz	SJIYEHYKDOODDL-JKKQVKPRSA-N	0	0	352.390	-3.237	20	10		FACDRN
O=C(CN1C(=O)CSC1=S)NCCOCCN1C(=O)C=CC1=O	ZINC001144853059	790885285	/nfs/dbraw/zinc/88/52/85/790885285.db2.gz	QGVBFDDXAOMWCT-UHFFFAOYSA-N	0	0	357.413	-1.096	20	10		FACDRN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC001144898520	790888259	/nfs/dbraw/zinc/88/82/59/790888259.db2.gz	BCVCAKKJILXOQX-QLFBSQMISA-N	0	0	354.403	-1.255	20	10		FACDRN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC001144898521	790888210	/nfs/dbraw/zinc/88/82/10/790888210.db2.gz	BCVCAKKJILXOQX-RBSFLKMASA-N	0	0	354.403	-1.255	20	10		FACDRN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC001144898522	790888221	/nfs/dbraw/zinc/88/82/21/790888221.db2.gz	BCVCAKKJILXOQX-RRFJBIMHSA-N	0	0	354.403	-1.255	20	10		FACDRN
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC001144898523	790887680	/nfs/dbraw/zinc/88/76/80/790887680.db2.gz	BCVCAKKJILXOQX-SOUVJXGZSA-N	0	0	354.403	-1.255	20	10		FACDRN
CN(C)c1ccc(/C=C/C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1	ZINC001180129953	791020745	/nfs/dbraw/zinc/02/07/45/791020745.db2.gz	OJDFZJUTPJPIMV-AOAYZYFPSA-N	0	0	352.387	-1.318	20	10		FACDRN
CN(C)c1ccc(/C=C/C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC001180129954	791020707	/nfs/dbraw/zinc/02/07/07/791020707.db2.gz	OJDFZJUTPJPIMV-MZQSRWGZSA-N	0	0	352.387	-1.318	20	10		FACDRN
O=C(CN1C(=O)CSC1=S)N1CC2(C1)COCC(=O)N2C1COC1	ZINC001270045321	789692204	/nfs/dbraw/zinc/69/22/04/789692204.db2.gz	REOGUFMQROQVQV-UHFFFAOYSA-N	0	0	371.440	-1.315	20	10		FACDRN
O=C(CN1C(=O)CSC1=S)N1CC2(C1)CN(C1COC1)C(=O)CO2	ZINC001270045590	789692238	/nfs/dbraw/zinc/69/22/38/789692238.db2.gz	WHOKBLOFHKISJY-UHFFFAOYSA-N	0	0	371.440	-1.315	20	10		FACDRN