smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c([N+](=O)[O-])ccc([O-])c1C(=O)[O-]	ZINC000396154409	344626507	/nfs/dbraw/zinc/62/65/07/344626507.db2.gz	DSXOSJLTZDYGFW-UHFFFAOYSA-N	-2	3	208.129	0.870	10	30		BCEEHL
N#Cc1c(=O)[n-]c(=O)[n-]c1-c1ccco1	ZINC000004958092	181073041	/nfs/dbraw/zinc/07/30/41/181073041.db2.gz	BJXSIZHBBSIZEH-UHFFFAOYSA-N	-2	3	203.157	0.607	10	30		BCEEHL
C=C(C)C(=O)OCCCP(=O)([O-])[O-]	ZINC000090615388	368990562	/nfs/dbraw/zinc/99/05/62/368990562.db2.gz	KYEAMYHCEZEPOJ-UHFFFAOYSA-N	-2	3	208.150	0.674	10	30		BCEEHL
O=Cc1cc(O)cc(C#CC(=O)[O-])c1[O-]	ZINC000757567515	586461956	/nfs/dbraw/zinc/46/19/56/586461956.db2.gz	JFTXICYIXNIVHE-UHFFFAOYSA-N	-2	3	206.153	0.346	10	30		BCEEHL
C#CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000021057213	188355942	/nfs/dbraw/zinc/35/59/42/188355942.db2.gz	XHGZMRSJOAFMHE-UHFFFAOYSA-N	-2	3	245.281	0.358	10	30		BCEEHL
Cc1cc(C#CC(=O)[O-])c([O-])c(C=O)c1	ZINC000757568951	586461978	/nfs/dbraw/zinc/46/19/78/586461978.db2.gz	REZXPZPLXYZYNL-UHFFFAOYSA-N	-2	3	204.181	0.949	10	30		BCEEHL
O=S(=O)([O-])C/C(=N/[O-])c1ccccc1O	ZINC000022066516	343039040	/nfs/dbraw/zinc/03/90/40/343039040.db2.gz	MGHQRQOJUICLPS-CLFYSBASSA-N	-2	3	231.229	0.458	10	30	in-vitro	BCEEHL
N#CCC[C@@H](CP(=O)([O-])[O-])C(=O)[O-]	ZINC000013470233	187307663	/nfs/dbraw/zinc/30/76/63/187307663.db2.gz	XQGQTDRATZDGHF-YFKPBYRVSA-N	-3	3	207.122	0.169	10	30		BCEEHL
C#CC(=O)Nc1ccc(C(=O)[O-])cc1[O-]	ZINC000037473673	166108138	/nfs/dbraw/zinc/10/81/38/166108138.db2.gz	XZIVNEUYBODUNR-UHFFFAOYSA-N	-2	3	205.169	0.662	10	30		BCEEHL
Cc1cc(C#CC(=O)[O-])cc(C=O)c1[O-]	ZINC000757568408	586462117	/nfs/dbraw/zinc/46/21/17/586462117.db2.gz	MDSQBOILPDKORX-UHFFFAOYSA-N	-2	3	204.181	0.949	10	30		BCEEHL
N#Cc1ccc(CCc2cc(=O)c([O-])n[n-]2)cc1	ZINC000205768403	348589474	/nfs/dbraw/zinc/58/94/74/348589474.db2.gz	ODAJAZMNOCKMGG-UHFFFAOYSA-N	-2	3	241.250	0.720	10	30		BCEEHL
C#CCON=c1ncc(C(=O)[O-])c(C)[n-]1	ZINC000307227931	351672253	/nfs/dbraw/zinc/67/22/53/351672253.db2.gz	GGAGZDCRZYGONX-UHFFFAOYSA-N	-2	3	207.189	0.460	10	30		BCEEHL
O=C(N[O-])c1n[n-]c(=S)n1C1CC1	ZINC000306252387	359460165	/nfs/dbraw/zinc/46/01/65/359460165.db2.gz	VGJYTEQDMNFZON-UHFFFAOYSA-N	-2	3	200.223	0.395	10	30		BCEEHL
O=C([O-])[C@H](CS)NC(=O)c1ccccc1[O-]	ZINC000026726521	182287183	/nfs/dbraw/zinc/28/71/83/182287183.db2.gz	BYLCIVKSBQQAPK-ZETCQYMHSA-N	-2	3	241.268	0.505	10	30		BCEEHL
CC(=O)N([O-])c1ccc(OS(=O)(=O)[O-])cc1	ZINC000169342383	187475584	/nfs/dbraw/zinc/47/55/84/187475584.db2.gz	CDUILLVEPKKTBJ-UHFFFAOYSA-N	-2	3	247.228	0.610	10	30		BCEEHL
CSc1n[n-]c(=NN=C(C)C(=O)[O-])s1	ZINC000584658125	411802810	/nfs/dbraw/zinc/80/28/10/411802810.db2.gz	NRBOLOQBGLIJOR-XVNBXDOJSA-N	-2	3	232.290	1.132	10	30		BCEEHL
COc1cc(C#CC(=O)[O-])c([O-])c(C=O)c1	ZINC000757566145	586305873	/nfs/dbraw/zinc/30/58/73/586305873.db2.gz	DXDBOVKVDPAYFX-UHFFFAOYSA-N	-2	3	220.180	0.649	10	30		BCEEHL
N#CCc1nc2c([n-]1)[n-]c(=S)[nH]c2=O	ZINC000040176458	181049548	/nfs/dbraw/zinc/04/95/48/181049548.db2.gz	QUGOYGSTIQDXCQ-UHFFFAOYSA-N	-2	3	207.218	0.787	10	30		BCEEHL
O=S(=O)([O-])CC/N=C/c1ccccc1[O-]	ZINC000031501234	345551303	/nfs/dbraw/zinc/55/13/03/345551303.db2.gz	NRMJWVBMZKPSSH-JXMROGBWSA-N	-2	3	229.257	0.699	10	30		BCEEHL
CCOC(=O)c1oc(C(=O)OCC)c([O-])c1[O-]	ZINC000100877943	170179277	/nfs/dbraw/zinc/17/92/77/170179277.db2.gz	YCNONGXDPIGWCP-XOHWUJONSA-N	-2	3	244.199	0.682	10	30		BCEEHL
N#Cc1cc([O-])c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000396156023	344627507	/nfs/dbraw/zinc/62/75/07/344627507.db2.gz	HNJWVNMUFWOLKS-UHFFFAOYSA-N	-2	3	208.129	0.870	10	30		BCEEHL