smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+]([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1F	ZINC000852726318	671519426	/nfs/dbraw/zinc/51/94/26/671519426.db2.gz	JKDRPHSFWCHIBK-AWEZNQCLSA-N	0	2	351.378	0.642	10	10		FCCELN
COc1ccc(N2CC[C@@H](NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)cc1	ZINC000855232235	1209663018	/nfs/dbraw/zinc/66/30/18/1209663018.db2.gz	RNKWZCPGGAYOTN-GFCCVEGCSA-N	0	2	368.397	0.475	10	10		FCCELN
CS(=O)(=O)Cc1nnc(CNC(=O)N2Cc3cccc(O)c3C2)[nH]1	ZINC001685415894	1292529513	/nfs/dbraw/zinc/52/95/13/1292529513.db2.gz	VTONIVGAWOKEIF-UHFFFAOYSA-N	0	2	351.388	0.280	10	10		FCCELN
Cc1ccc(O)c(CNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)c1	ZINC001685415648	1292529917	/nfs/dbraw/zinc/52/99/17/1292529917.db2.gz	PMVXXTSMTWLNAG-UHFFFAOYSA-N	0	2	353.404	0.363	10	10		FCCELN
CS(=O)(=O)Cc1nnc(CNC(=O)NCc2cc(Cl)ccc2O)[nH]1	ZINC001251262196	857713168	/nfs/dbraw/zinc/71/31/68/857713168.db2.gz	FZKVILRNIPXARL-UHFFFAOYSA-N	0	2	373.822	0.708	10	10		FCCELN
C[C@@H](NC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)c1ccccc1O	ZINC001684363635	1284164882	/nfs/dbraw/zinc/16/48/82/1284164882.db2.gz	PZSMFNOXMWENEE-SECBINFHSA-N	0	2	353.404	0.615	10	10		FCCELN
CN(Cc1ccccc1O)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1	ZINC001685412069	1292530103	/nfs/dbraw/zinc/53/01/03/1292530103.db2.gz	XDCNHSHDMYMEGW-UHFFFAOYSA-N	0	2	353.404	0.397	10	10		FCCELN
C[C@H](NC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)c1ccccc1O	ZINC001685497397	1292542456	/nfs/dbraw/zinc/54/24/56/1292542456.db2.gz	PZSMFNOXMWENEE-VIFPVBQESA-N	0	2	353.404	0.615	10	10		FCCELN
CCNc1nc2nnc(SCC(=O)N(C)CCCO)n2c(NCC)n1	ZINC000282067045	528443686	/nfs/dbraw/zinc/44/36/86/528443686.db2.gz	YCNWSZFJGDGCGD-UHFFFAOYSA-N	0	2	368.467	0.316	10	10		FCCELN
CS(=O)(=O)Cc1nnc(CNC(=O)NCc2c(O)cccc2F)[nH]1	ZINC001687718129	1293006321	/nfs/dbraw/zinc/00/63/21/1293006321.db2.gz	RSURZTXISKUXNE-UHFFFAOYSA-N	0	2	357.367	0.193	10	10		FCCELN
COc1ccc(N2CC[NH+]([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1F	ZINC000852726319	671519347	/nfs/dbraw/zinc/51/93/47/671519347.db2.gz	JKDRPHSFWCHIBK-CQSZACIVSA-N	0	2	351.378	0.642	10	10		FCCELN
COc1ccc(N2CC[C@H](NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)cc1	ZINC000855232236	1209662908	/nfs/dbraw/zinc/66/29/08/1209662908.db2.gz	RNKWZCPGGAYOTN-LBPRGKRZSA-N	0	2	368.397	0.475	10	10		FCCELN
CCNc1nc2nnc(SCC(=O)N[C@@H]3C[C@H]3C)n2c(NCC)n1	ZINC000263901544	528443423	/nfs/dbraw/zinc/44/34/23/528443423.db2.gz	DNVHQVYDMXNDEP-RKDXNWHRSA-N	0	2	350.452	1.000	10	10		FCCELN
COc1ccc(N2CC[NH+](CCNC(=O)CSCC(=O)[O-])CC2)cc1	ZINC000842586318	670701006	/nfs/dbraw/zinc/70/10/06/670701006.db2.gz	QBJLNLPOIQLEIY-UHFFFAOYSA-N	0	2	367.471	0.751	10	10		FCCELN
CS(=O)(=O)Cc1nc(CNC(=O)NCc2cccc(Cl)c2O)n[nH]1	ZINC001565403580	1269470782	/nfs/dbraw/zinc/47/07/82/1269470782.db2.gz	CDXXFFWPYKRZDD-UHFFFAOYSA-N	0	2	373.822	0.708	10	10		FCCELN
CC(=O)c1cc(Cl)cc(CNC2(C(N)=O)CCS(=O)(=O)CC2)c1O	ZINC001560085714	1269186925	/nfs/dbraw/zinc/18/69/25/1269186925.db2.gz	IVBYLXCVQVTGGV-UHFFFAOYSA-N	0	2	374.846	0.771	10	10		FCCELN
COc1cc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1O	ZINC000797820183	669197002	/nfs/dbraw/zinc/19/70/02/669197002.db2.gz	KGTZEYVRRWEHIC-UHFFFAOYSA-N	0	2	358.397	0.849	10	10		FCCELN
CCNc1nc2nnc(SCC(=O)NCC[C@@H](C)O)n2c(NCC)n1	ZINC000265453288	528443293	/nfs/dbraw/zinc/44/32/93/528443293.db2.gz	LHAVHRWHWDVEIY-SECBINFHSA-N	0	2	368.467	0.362	10	10		FCCELN
CNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)cn1C	ZINC000775286987	668208463	/nfs/dbraw/zinc/20/84/63/668208463.db2.gz	TUCGUGIHLLYCJJ-UHFFFAOYSA-N	0	2	367.383	0.678	10	10		FCCELN