smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@H+](C)CCN32)C1=O	ZINC000020548380	553671393	/nfs/dbraw/zinc/67/13/93/553671393.db2.gz	BLTBZSCFLBGEJZ-WPNIOXTASA-N	1	1	520.546	0.888	50	30		KCEAMO
C=CCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@@H+](C)CCN32)C1=O	ZINC000020548380	553671390	/nfs/dbraw/zinc/67/13/90/553671390.db2.gz	BLTBZSCFLBGEJZ-WPNIOXTASA-N	1	1	520.546	0.888	50	30		KCEAMO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@@H+](CC)CCN32)C1=O	ZINC000097967927	553925433	/nfs/dbraw/zinc/92/54/33/553925433.db2.gz	HSLLIZFTLNWZCG-BXWQOUMASA-N	1	1	549.588	0.350	50	30		KCEAMO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@H+](CC)CCN32)C1=O	ZINC000097967927	553925425	/nfs/dbraw/zinc/92/54/25/553925425.db2.gz	HSLLIZFTLNWZCG-BXWQOUMASA-N	1	1	549.588	0.350	50	30		KCEAMO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@@H+](CC)CCN32)C1=O	ZINC000105349475	571403547	/nfs/dbraw/zinc/40/35/47/571403547.db2.gz	HSLLIZFTLNWZCG-BKHFDQEPSA-N	1	1	549.588	0.350	50	30		KCEAMO
C=CCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@H+](CC)CCN32)C1=O	ZINC000105349475	571403546	/nfs/dbraw/zinc/40/35/46/571403546.db2.gz	HSLLIZFTLNWZCG-BKHFDQEPSA-N	1	1	549.588	0.350	50	30		KCEAMO
C=CCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@H+](C)CCN32)C1=O	ZINC000107942576	571421823	/nfs/dbraw/zinc/42/18/23/571421823.db2.gz	BLTBZSCFLBGEJZ-XYSGSMRZSA-N	1	1	520.546	0.048	50	30		KCEAMO
C=CCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@@H+](C)CCN32)C1=O	ZINC000107942576	571421822	/nfs/dbraw/zinc/42/18/22/571421822.db2.gz	BLTBZSCFLBGEJZ-XYSGSMRZSA-N	1	1	520.546	0.048	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@@H]2O[C@H]2/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC000169341416	562860850	/nfs/dbraw/zinc/86/08/50/562860850.db2.gz	RIIMEYZMYDBHPE-GTHWTZGKSA-N	1	1	613.701	0.565	50	30		KCEAMO
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccc([C@H](O)C(=NNC(N)=[NH2+])c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000198718735	571568728	/nfs/dbraw/zinc/56/87/28/571568728.db2.gz	ZUNKTBISFKRYPV-ACQKCODYSA-N	1	1	684.590	0.642	50	30		KCEAMO
N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc([C@@H](O)C(=NNC(N)=[NH2+])c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1	ZINC000198718751	571568688	/nfs/dbraw/zinc/56/86/88/571568688.db2.gz	ZUNKTBISFKRYPV-JVFQKXSQSA-N	1	1	684.590	0.642	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@H]2O[C@H]2/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC000257358038	572322078	/nfs/dbraw/zinc/32/20/78/572322078.db2.gz	RIIMEYZMYDBHPE-GGCWBUAWSA-N	1	1	613.701	0.565	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@H]2O[C@@H]2/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC000257358040	572322095	/nfs/dbraw/zinc/32/20/95/572322095.db2.gz	RIIMEYZMYDBHPE-SFLRTKKHSA-N	1	1	613.701	0.565	50	30		KCEAMO
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)N=C2C=C(CCNC(=O)[C@H](C)NC1=O)[NH+]=C(NCCN1CCCC1)N2	ZINC000952865084	1066271804	/nfs/dbraw/zinc/27/18/04/1066271804.db2.gz	NQLRVSUIXOPRIJ-GRYUFTJMSA-N	1	1	550.708	0.690	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@H]2O[C@H]2C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC001500977185	1066286671	/nfs/dbraw/zinc/28/66/71/1066286671.db2.gz	RIIMEYZMYDBHPE-CUOOXKSRSA-N	1	1	613.701	0.565	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@@H]2O[C@H]2C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC001500977186	1066286602	/nfs/dbraw/zinc/28/66/02/1066286602.db2.gz	RIIMEYZMYDBHPE-KPFGSIQJSA-N	1	1	613.701	0.565	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@H]2O[C@@H]2C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC001500977187	1066286457	/nfs/dbraw/zinc/28/64/57/1066286457.db2.gz	RIIMEYZMYDBHPE-VZPQJTISSA-N	1	1	613.701	0.565	50	30		KCEAMO
CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C[C@@H]2O[C@@H]2C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]1O	ZINC001500977188	1066286799	/nfs/dbraw/zinc/28/67/99/1066286799.db2.gz	RIIMEYZMYDBHPE-XAYWAREISA-N	1	1	613.701	0.565	50	30		KCEAMO