smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2cccc-2c2cc(O)c3ccccc3c2n1-c1ccc([NH+](C)C)cc1	ZINC000001660882	210363488	/nfs/dbraw/zinc/36/34/88/210363488.db2.gz	QRKFFGVOXUVELV-UHFFFAOYSA-N	1	2	366.464	5.969	1	5		FKBFLO
CC(=O)c1cccc(Nc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)c1	ZINC000001663421	206892339	/nfs/dbraw/zinc/89/23/39/206892339.db2.gz	PVLNEWIAIWAZIZ-UHFFFAOYSA-N	1	2	351.409	5.816	1	5		FKBFLO
Cc1c2[nH]c3ccc(O)c(OCC(F)(F)F)c3c2c(C)c2c[nH+]ccc12	ZINC000013221002	220060963	/nfs/dbraw/zinc/06/09/63/220060963.db2.gz	FKSSRGLBYHPRMR-UHFFFAOYSA-N	1	2	360.335	5.133	1	5		FKBFLO
CNC(=O)OCc1ccc(Sc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000013603441	211042418	/nfs/dbraw/zinc/04/24/18/211042418.db2.gz	IGLYFURJTBUHMM-UHFFFAOYSA-N	1	2	374.465	5.395	1	5		FKBFLO
COc1cc2c(c3[nH+]c4ccc5ccccc5c4c(OC)c13)C=CC(C)(C)O2	ZINC000038209003	208200588	/nfs/dbraw/zinc/20/05/88/208200588.db2.gz	USHUVZJRNFSMPQ-UHFFFAOYSA-N	1	2	371.436	5.743	1	5		FKBFLO
Cc1c2[nH]c3cc(Cc4ccccc4)c(O)cc3c2c(C)c2c[nH+]ccc12	ZINC000045210193	205117135	/nfs/dbraw/zinc/11/71/35/205117135.db2.gz	SPYGFWIDPZNNNG-UHFFFAOYSA-N	1	2	352.437	5.783	1	5		FKBFLO
Oc1ccc(CCNc2[nH+]c3ccc(F)cc3c3[nH]c4ccccc4c32)cc1	ZINC000045358684	211815839	/nfs/dbraw/zinc/81/58/39/211815839.db2.gz	WXMRCIWKISHGRA-UHFFFAOYSA-N	1	2	371.415	5.369	1	5		FKBFLO
O=c1cc(Cc2c3ccccc3[nH+]c3ccccc32)c2cc(Cl)ccc2o1	ZINC000064527821	208614902	/nfs/dbraw/zinc/61/49/02/208614902.db2.gz	NVLQRQDZVLQPQU-UHFFFAOYSA-N	1	2	371.823	5.739	1	5		FKBFLO
Cc1ccc2c(Cc3c4ccccc4[nH+]c4ccccc43)cc(=O)oc2c1	ZINC000064528210	208614081	/nfs/dbraw/zinc/61/40/81/208614081.db2.gz	ZXYYWYGVDHFVRT-UHFFFAOYSA-N	1	2	351.405	5.394	1	5		FKBFLO
Cc1ccc2oc(=O)cc(Cc3c4ccccc4[nH+]c4ccccc43)c2c1	ZINC000064539018	205300722	/nfs/dbraw/zinc/30/07/22/205300722.db2.gz	GUYMSWVTTGMXPT-UHFFFAOYSA-N	1	2	351.405	5.394	1	5		FKBFLO
O=c1cc(Cc2c3ccccc3[nH+]c3ccccc32)c2ccc(Cl)cc2o1	ZINC000064539019	205300801	/nfs/dbraw/zinc/30/08/01/205300801.db2.gz	HLNORORASJARMS-UHFFFAOYSA-N	1	2	371.823	5.739	1	5		FKBFLO
Cc1cccc(N2CCN(c3[nH+]c4ccccc4c4ccccc43)CC2)c1	ZINC000103264626	132237407	/nfs/dbraw/zinc/23/74/07/132237407.db2.gz	XQGSVFBULZNVPG-UHFFFAOYSA-N	1	2	353.469	5.023	1	5		FKBFLO
Clc1ccc(N2CCN(c3[nH+]c4ccccc4c4ccccc43)CC2)cc1	ZINC000103264629	132237357	/nfs/dbraw/zinc/23/73/57/132237357.db2.gz	PEBQNJLWWZIMGG-UHFFFAOYSA-N	1	2	373.887	5.368	1	5		FKBFLO
Clc1ccccc1N1CCN(c2[nH+]c3ccccc3c3ccccc32)CC1	ZINC000103264632	132237435	/nfs/dbraw/zinc/23/74/35/132237435.db2.gz	JFKPDVMEGOSVLL-UHFFFAOYSA-N	1	2	373.887	5.368	1	5		FKBFLO