smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C[NH+](C)C)Oc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2O[C@@H](C)C[NH+](C)C)=C(Cl)C1=O	ZINC000001670301	551688578	/nfs/dbraw/zinc/68/85/78/551688578.db2.gz	PPHONBLULYWVTO-ROUUACIJSA-N	2	0	561.510	4.921	40	30		KJEBRP
C[C@H](C[NH+](C)C)Oc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2O[C@H](C)C[NH+](C)C)=C(Cl)C1=O	ZINC000001670304	551688645	/nfs/dbraw/zinc/68/86/45/551688645.db2.gz	PPHONBLULYWVTO-QZTJIDSGSA-N	2	0	561.510	4.921	40	30		KJEBRP
CCC/[NH+]=C(\NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(NC)=[NH+]/CCC)cc3)cc2)cc1	ZINC000004726704	552473016	/nfs/dbraw/zinc/47/30/16/552473016.db2.gz	YYHZBKXPEIXQCF-UHFFFAOYSA-N	2	0	512.658	4.943	40	30		KJEBRP
C/[NH+]=C(/c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N(C)C)cc3)c(Cl)c2)cc1)N(C)C	ZINC000017323881	553593343	/nfs/dbraw/zinc/59/33/43/553593343.db2.gz	SXDQWVMNPDKYIM-FNBNKOJXSA-N	2	0	519.049	4.721	40	30		KJEBRP
Cn1c(-c2ccc(C=NNc3nc(=NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc[nH]3)cc2)c[n+]2ccccc12	ZINC000073310526	553652934	/nfs/dbraw/zinc/65/29/34/553652934.db2.gz	BENLPZDVYYNNSX-HLVKTBDNSA-N	2	0	578.684	4.857	40	30		KJEBRP
CC[N+](CC)(CCCNC1=CC(=O)C(NCCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1	ZINC000100001933	554177455	/nfs/dbraw/zinc/17/74/55/554177455.db2.gz	YERABYSOHUZTPQ-UHFFFAOYSA-P	2	0	546.800	4.979	40	30	endogenous,in-man	KJEBRP
CN(C)C(SCc1ccc2sc(N=Nc3nc4cc(CSC(N(C)C)=[N+](C)C)ccc4s3)nc2c1)=[N+](C)C	ZINC000100072016	554202086	/nfs/dbraw/zinc/20/20/86/554202086.db2.gz	DQTAQEHOJALTHB-QVIHXGFCSA-N	2	0	586.882	4.908	40	30		KJEBRP
Cn1c(-c2ccc(C=NNc3nc(=NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc[nH]3)cc2)c[n+]2ccccc12	ZINC000104242517	571377790	/nfs/dbraw/zinc/37/77/90/571377790.db2.gz	BENLPZDVYYNNSX-BWBHXBINSA-N	2	0	578.684	4.857	40	30		KJEBRP
Cn1c(-c2ccc(C=NN=c3nc(NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc[nH]3)cc2)c[n+]2ccccc12	ZINC000104242526	571377785	/nfs/dbraw/zinc/37/77/85/571377785.db2.gz	BENLPZDVYYNNSX-NWSQFBHNSA-N	2	0	578.684	4.857	40	30		KJEBRP
Cn1c(-c2ccc(C=NNc3nc(=NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc[nH]3)cc2)c[n+]2ccccc12	ZINC000104242532	571377791	/nfs/dbraw/zinc/37/77/91/571377791.db2.gz	BENLPZDVYYNNSX-YKWSZBMWSA-N	2	0	578.684	4.857	40	30		KJEBRP
C[NH+](C)CCCOc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(OCCC[NH+](C)C)cc3)=C(Cl)C2=O)cc1	ZINC000104354750	571379430	/nfs/dbraw/zinc/37/94/30/571379430.db2.gz	XWAYEQAROIFQRP-UHFFFAOYSA-N	2	0	561.510	4.924	40	30		KJEBRP
C[NH+](C)CCCOc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2OCCC[NH+](C)C)=C(Cl)C1=O	ZINC000104354757	571379438	/nfs/dbraw/zinc/37/94/38/571379438.db2.gz	WBUCDXDUHFALAO-UHFFFAOYSA-N	2	0	561.510	4.924	40	30		KJEBRP
C[C@H](C[NH+](C)C)Oc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2O[C@@H](C)C[NH+](C)C)=C(Cl)C1=O	ZINC000104354783	571379457	/nfs/dbraw/zinc/37/94/57/571379457.db2.gz	PPHONBLULYWVTO-HDICACEKSA-N	2	0	561.510	4.921	40	30		KJEBRP
C[NH+](C)CCCOc1cccc(NC2=C(Cl)C(=O)C(Nc3cccc(OCCC[NH+](C)C)c3)=C(Cl)C2=O)c1	ZINC000104354799	571379453	/nfs/dbraw/zinc/37/94/53/571379453.db2.gz	DSKZZEPCJBECEA-UHFFFAOYSA-N	2	0	561.510	4.924	40	30		KJEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]\C)N(C)C)cc3)c(Cl)c2)cc1)N(C)C	ZINC000104388212	571379925	/nfs/dbraw/zinc/37/99/25/571379925.db2.gz	SXDQWVMNPDKYIM-HESIJOAVSA-N	2	0	519.049	4.721	40	30		KJEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N(C)C)cc3)cc2Cl)cc1)N(C)C	ZINC000104388217	571379834	/nfs/dbraw/zinc/37/98/34/571379834.db2.gz	SXDQWVMNPDKYIM-ZCUZHOHCSA-N	2	0	519.049	4.721	40	30		KJEBRP
C/[NH+]=C(\c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(/C(=[NH+]/C)N(C)C)cc3)c(Cl)c2)cc1)N(C)C	ZINC000104388220	571379849	/nfs/dbraw/zinc/37/98/49/571379849.db2.gz	SXDQWVMNPDKYIM-BENVAKDZSA-N	2	0	519.049	4.721	40	30		KJEBRP
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H]([NH+]6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)C2OC(C)=O)CCCC1	ZINC001560410718	1067205971	/nfs/dbraw/zinc/20/59/71/1067205971.db2.gz	GTNVTEDUTKLAAJ-MALYJANWSA-N	2	0	528.778	4.571	40	30		KJEBRP