smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH2+][C@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl	ZINC000001667976	204015838	/nfs/dbraw/zinc/01/58/38/204015838.db2.gz	DNLMKEWAIIMFJR-OAHLLOKOSA-N	1	2	351.749	5.334	40	10		FKCBLO
CCN(CC)c1ccc([C@@H]([NH2+]CCC(C)C)C(Cl)(Cl)Cl)cc1	ZINC000001667981	210365698	/nfs/dbraw/zinc/36/56/98/210365698.db2.gz	FXWKMFGDAQICOW-MRXNPFEDSA-N	1	2	365.776	5.580	40	10		FKCBLO
CCC[NH+](CCC)c1ccc(/C=C\c2ccc3cc(OCC)ccc3n2)cc1	ZINC000005105895	570621123	/nfs/dbraw/zinc/62/11/23/570621123.db2.gz	BAXMFOTYCJGOCE-XFFZJAGNSA-N	1	2	374.528	6.430	40	10		FKCBLO
CCCC[NH2+][C@@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl	ZINC000005838021	263343569	/nfs/dbraw/zinc/34/35/69/263343569.db2.gz	DNLMKEWAIIMFJR-HNNXBMFYSA-N	1	2	351.749	5.334	40	10		FKCBLO
CCN(CC)c1ccc([C@H]([NH2+]CCC(C)C)C(Cl)(Cl)Cl)cc1	ZINC000005840603	570637082	/nfs/dbraw/zinc/63/70/82/570637082.db2.gz	FXWKMFGDAQICOW-INIZCTEOSA-N	1	2	365.776	5.580	40	10		FKCBLO
Cc1ccc(-c2n[n+]3c(c4ccccc42)SC(c2ccccc2)C3=O)cc1	ZINC000012249686	571322325	/nfs/dbraw/zinc/32/23/25/571322325.db2.gz	AYGRHRFQPIYRBE-UHFFFAOYSA-O	1	2	369.469	5.383	40	10		FKCBLO
O=C1C(c2ccccc2)Sc2c3ccccc3c(-c3ccccc3)n[n+]21	ZINC000012249697	571322316	/nfs/dbraw/zinc/32/23/16/571322316.db2.gz	ZHOIQKJBBKBYSJ-UHFFFAOYSA-O	1	2	355.442	5.075	40	10		FKCBLO
CCC[NH+](CCC)c1ccc(/C=C/c2ccc3cc(OCC)ccc3n2)cc1	ZINC000013146919	570774572	/nfs/dbraw/zinc/77/45/72/570774572.db2.gz	BAXMFOTYCJGOCE-YRNVUSSQSA-N	1	2	374.528	6.430	40	10		FKCBLO
Cc1cc(Nc2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)nc(C)[nH+]1	ZINC000017836904	220218018	/nfs/dbraw/zinc/21/80/18/220218018.db2.gz	UUNGCXMWHCKSED-CYYJNZCTSA-N	1	2	370.416	5.506	40	10	in-vitro	FKCBLO
O=C(Nc1cccc2ccccc21)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000019015417	570879214	/nfs/dbraw/zinc/87/92/14/570879214.db2.gz	RPSMHYFETCHGPZ-UHFFFAOYSA-N	1	2	363.420	6.185	40	10		FKCBLO
Oc1c(Cl)cc(Cl)cc1C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000019973720	211264497	/nfs/dbraw/zinc/26/44/97/211264497.db2.gz	YJZNEHWINAFWEY-UHFFFAOYSA-N	1	2	372.295	5.901	40	10		FKCBLO
Cc1cc(Nc2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)nc(C)[nH+]1	ZINC000100136859	209209400	/nfs/dbraw/zinc/20/94/00/209209400.db2.gz	UUNGCXMWHCKSED-RQZHXJHFSA-N	1	2	370.416	5.506	40	10	in-vitro	FKCBLO
CC[N@@H+](CCCNC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1	ZINC000225732737	571059950	/nfs/dbraw/zinc/05/99/50/571059950.db2.gz	YJVPJLKDJSDUJR-UHFFFAOYSA-N	1	2	369.578	5.321	40	10		FKCBLO
CC[N@H+](CCCNC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1	ZINC000225732737	571059948	/nfs/dbraw/zinc/05/99/48/571059948.db2.gz	YJVPJLKDJSDUJR-UHFFFAOYSA-N	1	2	369.578	5.321	40	10		FKCBLO
Cc1ccc(-c2cccc(Br)c2)n1-c1ccc([NH+](C)C)cc1	ZINC000228909521	571278299	/nfs/dbraw/zinc/27/82/99/571278299.db2.gz	ZANOXMBEMDZOIR-UHFFFAOYSA-N	1	2	355.279	5.281	40	10		FKCBLO
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc([NH+](C)C)cc1	ZINC000228921618	571278266	/nfs/dbraw/zinc/27/82/66/571278266.db2.gz	NXLZZTPFLZWHDQ-UHFFFAOYSA-N	1	2	355.279	5.281	40	10		FKCBLO
Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc([NH+](C)C)cc1	ZINC000228929151	571278235	/nfs/dbraw/zinc/27/82/35/571278235.db2.gz	JPUUCSDTOZLUOL-UHFFFAOYSA-N	1	2	355.825	5.080	40	10		FKCBLO
Cc1ccc(-c2ccc(OC(F)(F)F)cc2)n1-c1ccc([NH+](C)C)cc1	ZINC000228977173	571278334	/nfs/dbraw/zinc/27/83/34/571278334.db2.gz	JWUCOLJNUIFGQG-UHFFFAOYSA-N	1	2	360.379	5.417	40	10		FKCBLO
Cc1ccc(-c2cccc(OC(F)(F)F)c2)n1-c1ccc([NH+](C)C)cc1	ZINC000228978005	571278357	/nfs/dbraw/zinc/27/83/57/571278357.db2.gz	UZSRFQJRDLWPRP-UHFFFAOYSA-N	1	2	360.379	5.417	40	10		FKCBLO
O=C(N=NC=C1C=Nc2ccccc21)C1=CC[N@@H+](Cc2ccccc2)C=C1	ZINC000334157142	571336329	/nfs/dbraw/zinc/33/63/29/571336329.db2.gz	REYSVHNSAVBQCC-AXGGPJSISA-N	1	2	354.413	5.508	40	10		FKCBLO
O=C(N=NC=C1C=Nc2ccccc21)C1=CC[N@H+](Cc2ccccc2)C=C1	ZINC000334157142	571336328	/nfs/dbraw/zinc/33/63/28/571336328.db2.gz	REYSVHNSAVBQCC-AXGGPJSISA-N	1	2	354.413	5.508	40	10		FKCBLO
O=C(N=NC=C1C=Nc2ccccc21)C1=CC[N@@H+](Cc2ccccc2)C=C1	ZINC000334157143	210153538	/nfs/dbraw/zinc/15/35/38/210153538.db2.gz	REYSVHNSAVBQCC-NMNQQJSESA-N	1	2	354.413	5.508	40	10		FKCBLO
O=C(N=NC=C1C=Nc2ccccc21)C1=CC[N@H+](Cc2ccccc2)C=C1	ZINC000334157143	210153534	/nfs/dbraw/zinc/15/35/34/210153534.db2.gz	REYSVHNSAVBQCC-NMNQQJSESA-N	1	2	354.413	5.508	40	10		FKCBLO