smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000008418622	212074831	/nfs/dbraw/zinc/07/48/31/212074831.db2.gz	KQTPOFIXLCIMER-UHFFFAOYSA-N	1	2	385.851	4.910	40	5		GJBBLO
Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329059482	209160211	/nfs/dbraw/zinc/16/02/11/209160211.db2.gz	WGRHOZDFFWYBDV-UHFFFAOYSA-N	1	2	377.448	4.736	40	5		GJBBLO
O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1	ZINC000329032877	209157885	/nfs/dbraw/zinc/15/78/85/209157885.db2.gz	QQTAUNKYPCJNNH-UHFFFAOYSA-N	1	2	389.459	4.962	40	5		GJBBLO
O=[N+]([O-])c1ccc(COc2ccc(C3=CSC4=[NH+]CCCCN34)cc2)cc1	ZINC000100960522	570783791	/nfs/dbraw/zinc/78/37/91/570783791.db2.gz	AIJNUORMXZFQGL-UHFFFAOYSA-N	1	2	381.457	4.671	40	5		GJBBLO
O=[N+]([O-])c1ccccc1Sc1ccc2c3c(cccc13)C[N@@H+](CCCO)C2	ZINC000001735573	209336589	/nfs/dbraw/zinc/33/65/89/209336589.db2.gz	GBBOQGPWHAEKNR-UHFFFAOYSA-N	1	2	380.469	4.597	40	5		GJBBLO
O=[N+]([O-])c1ccccc1Sc1ccc2c3c(cccc13)C[N@H+](CCCO)C2	ZINC000001735573	209336593	/nfs/dbraw/zinc/33/65/93/209336593.db2.gz	GBBOQGPWHAEKNR-UHFFFAOYSA-N	1	2	380.469	4.597	40	5		GJBBLO
CC(C)(C)OC(=O)Nc1cccc(-n2c[nH+]cc2-c2ccc([N+](=O)[O-])cc2)c1	ZINC000585295225	570717372	/nfs/dbraw/zinc/71/73/72/570717372.db2.gz	QTEDMTUDBDMTCG-UHFFFAOYSA-N	1	2	380.404	4.795	40	5		GJBBLO
O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000008418436	212074455	/nfs/dbraw/zinc/07/44/55/212074455.db2.gz	KGYUKNDESOBKMO-UHFFFAOYSA-N	1	2	385.851	4.910	40	5		GJBBLO
CC(C)(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)[nH+]1	ZINC000329047796	212094849	/nfs/dbraw/zinc/09/48/49/212094849.db2.gz	UHQDYCNDOUSPDO-UHFFFAOYSA-N	1	2	381.411	4.567	40	5		GJBBLO
S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409188753	534458477	/nfs/dbraw/zinc/45/84/77/534458477.db2.gz	GCPCJZMLSDSWQE-UHFFFAOYSA-N	1	2	387.464	4.603	40	5		GJBBLO
CC(C)(C)OC(=O)Nc1cccc(-n2c[nH+]cc2-c2cccc([N+](=O)[O-])c2)c1	ZINC000585295435	570717338	/nfs/dbraw/zinc/71/73/38/570717338.db2.gz	ZGWUPYVXBANLRV-UHFFFAOYSA-N	1	2	380.404	4.795	40	5		GJBBLO
S=C(Nc1ccc2cc3ccccc3[nH+]c2c1)N1CCN(c2ccccc2)CC1	ZINC000409188551	534459020	/nfs/dbraw/zinc/45/90/20/534459020.db2.gz	DARPSIXMIFHZCK-UHFFFAOYSA-N	1	2	398.535	4.907	40	5		GJBBLO