smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(C)c1NC(=S)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000827593326	604030910	/nfs/dbraw/zinc/03/09/10/604030910.db2.gz	BANSJXGFYRNOPS-UHFFFAOYSA-N	-1	2	376.438	2.549	20	50		GFGDLM
Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)ccc1NC(=O)[O-]	ZINC000829961519	605804118	/nfs/dbraw/zinc/80/41/18/605804118.db2.gz	IHMUUXRFBDFNAW-UHFFFAOYSA-N	-1	2	380.360	2.815	20	50		GFGDLM
O=C([O-])c1cc(C(=O)NNc2nc(C(F)(F)F)cs2)cc([N+](=O)[O-])c1	ZINC000833297163	601799797	/nfs/dbraw/zinc/79/97/97/601799797.db2.gz	BWVDKPHXJMJUTC-UHFFFAOYSA-N	-1	2	376.272	2.525	20	50		GFGDLM
O=C([O-])c1cc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)cc([N+](=O)[O-])c1	ZINC000833297163	601799798	/nfs/dbraw/zinc/79/97/98/601799798.db2.gz	BWVDKPHXJMJUTC-UHFFFAOYSA-N	-1	2	376.272	2.525	20	50		GFGDLM
O=C([O-])c1cn(CC(=O)NNc2nc(C(F)(F)F)cs2)c2ccccc12	ZINC000833120461	601799439	/nfs/dbraw/zinc/79/94/39/601799439.db2.gz	XKLJVOOXNRXJOV-UHFFFAOYSA-N	-1	2	384.339	2.958	20	50		GFGDLM
O=C([O-])c1cn(CC(=O)NN=c2[nH]c(C(F)(F)F)cs2)c2ccccc12	ZINC000833120461	601799440	/nfs/dbraw/zinc/79/94/40/601799440.db2.gz	XKLJVOOXNRXJOV-UHFFFAOYSA-N	-1	2	384.339	2.958	20	50		GFGDLM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	ZINC000832846305	604267107	/nfs/dbraw/zinc/26/71/07/604267107.db2.gz	XLRRCOLLKPCSNI-UHFFFAOYSA-N	-1	2	397.387	2.577	20	50		GFGDLM
O=C([O-])N[C@@H](CC(=O)NN=c1[nH]c(C(F)(F)F)cs1)Cc1ccccc1	ZINC000832106382	603483474	/nfs/dbraw/zinc/48/34/74/603483474.db2.gz	YKBUSXQEGSSLDS-SNVBAGLBSA-N	-1	2	388.371	2.874	20	50		GFGDLM
O=C([O-])N[C@H](CC(=O)NN=c1[nH]c(C(F)(F)F)cs1)Cc1ccccc1	ZINC000832106381	603483252	/nfs/dbraw/zinc/48/32/52/603483252.db2.gz	YKBUSXQEGSSLDS-JTQLQIEISA-N	-1	2	388.371	2.874	20	50		GFGDLM
Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1NC(=O)[O-]	ZINC000830225294	603264868	/nfs/dbraw/zinc/26/48/68/603264868.db2.gz	JYKMOUJWVBKNTR-UHFFFAOYSA-N	-1	2	380.360	2.815	20	50		GFGDLM
Cc1ccc(C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1NC(=O)[O-]	ZINC000830225400	602990304	/nfs/dbraw/zinc/99/03/04/602990304.db2.gz	MIWBYXXJHUVGOB-UHFFFAOYSA-N	-1	2	379.319	2.518	20	50		GFGDLM
Cc1cc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)cc(C)c1OCC(=O)[O-]	ZINC000832864937	601799358	/nfs/dbraw/zinc/79/93/58/601799358.db2.gz	XQYWYQMIINWHPN-UHFFFAOYSA-N	-1	2	389.355	2.999	20	50		GFGDLM
O=C([O-])c1cccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1	ZINC000833765723	604667582	/nfs/dbraw/zinc/66/75/82/604667582.db2.gz	JOPKSQUHJCAEIU-UHFFFAOYSA-N	-1	2	394.383	2.561	20	50		GFGDLM
O=C([O-])c1cccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)n1	ZINC000833149362	600815057	/nfs/dbraw/zinc/81/50/57/600815057.db2.gz	NZKWDJDBQMHSFX-UHFFFAOYSA-N	-1	2	376.372	2.913	20	50		GFGDLM
O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)o1	ZINC000832701932	603232067	/nfs/dbraw/zinc/23/20/67/603232067.db2.gz	GXFJKSZVWDPNOY-UHFFFAOYSA-N	-1	2	391.449	2.843	20	50		GFGDLM
Cc1ccc(C(=O)NNC(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)o1	ZINC000830225727	603853163	/nfs/dbraw/zinc/85/31/63/603853163.db2.gz	VOTBOWATSMZELX-HNNXBMFYSA-N	-1	2	388.424	2.664	20	50		GFGDLM
CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(CNC(=O)[O-])o1	ZINC000824475750	603554483	/nfs/dbraw/zinc/55/44/83/603554483.db2.gz	ASJDRHDUFZGMAQ-UHFFFAOYSA-N	-1	2	376.438	2.802	20	50		GFGDLM
O=C([O-])Nc1ccc(Cc2nc(C(=O)NNC(=O)C3CCCC3)cs2)cc1	ZINC000834260160	605308552	/nfs/dbraw/zinc/30/85/52/605308552.db2.gz	MICYLZMNJWGBEQ-UHFFFAOYSA-N	-1	2	388.449	2.775	20	50		GFGDLM
Cc1ccc(C(=O)NNC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)o1	ZINC000830225728	603853288	/nfs/dbraw/zinc/85/32/88/603853288.db2.gz	VOTBOWATSMZELX-OAHLLOKOSA-N	-1	2	388.424	2.664	20	50		GFGDLM
O=C([O-])c1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1F	ZINC000833149709	604802739	/nfs/dbraw/zinc/80/27/39/604802739.db2.gz	ZOFMBUSWNQPADX-UHFFFAOYSA-N	-1	2	398.346	2.771	20	50		GFGDLM