smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](Cc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062164	518776526	/nfs/dbraw/zinc/77/65/26/518776526.db2.gz	JBOSAXVFTHRCCQ-OAQYLSRUSA-N	1	0	463.326	3.895	10	30		JHEERO
C=CC[NH+](CC=C)C[C@@H](/C(C)=N/NC(N)=[NH2+])[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000048548092	569846513	/nfs/dbraw/zinc/84/65/13/569846513.db2.gz	IGTAYLRCURYNOH-BKEQFZPVSA-N	1	0	473.577	3.780	10	30		JHEERO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102735205	130279752	/nfs/dbraw/zinc/27/97/52/130279752.db2.gz	WMKDJZSQJZQRCZ-ORDRXGECSA-N	1	0	491.632	3.924	10	30		JHEERO
CC#CCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000012051413	519342277	/nfs/dbraw/zinc/34/22/77/519342277.db2.gz	PSFQESZEWSDEOD-MUUNZHRXSA-N	1	0	475.564	3.529	10	30		JHEERO
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000102518149	535284960	/nfs/dbraw/zinc/28/49/60/535284960.db2.gz	HXQGQUPAJCJDOD-FEYWKWKCSA-N	1	0	452.551	3.857	10	30		JHEERO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1(N3CCCCC3)CCCC1)C2	ZINC000032516073	556443909	/nfs/dbraw/zinc/44/39/09/556443909.db2.gz	NUPIZZUFMJEFLG-JOCHJYFZSA-N	1	0	453.675	3.941	10	30		JHEERO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000245280762	570061797	/nfs/dbraw/zinc/06/17/97/570061797.db2.gz	SGWULWHXUBOMQZ-ILBGXUMGSA-N	1	0	475.589	3.871	10	30		JHEERO
CC#CCN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1=O	ZINC000012051410	519339726	/nfs/dbraw/zinc/33/97/26/519339726.db2.gz	PSFQESZEWSDEOD-NDEPHWFRSA-N	1	0	475.564	3.529	10	30		JHEERO
C=CC[N@H+](Cc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000043062167	518776607	/nfs/dbraw/zinc/77/66/07/518776607.db2.gz	JBOSAXVFTHRCCQ-NRFANRHFSA-N	1	0	463.326	3.895	10	30		JHEERO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1	ZINC000036308323	518301030	/nfs/dbraw/zinc/30/10/30/518301030.db2.gz	SGWULWHXUBOMQZ-UKILVPOCSA-N	1	0	475.589	3.871	10	30		JHEERO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000105003018	569849242	/nfs/dbraw/zinc/84/92/42/569849242.db2.gz	SGWULWHXUBOMQZ-NOZRDPDXSA-N	1	0	475.589	3.871	10	30		JHEERO
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CC[NH2+]CC3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102735209	130279818	/nfs/dbraw/zinc/27/98/18/130279818.db2.gz	WMKDJZSQJZQRCZ-PIJNJCDPSA-N	1	0	491.632	3.924	10	30		JHEERO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCCCC3)CCCC1)C2	ZINC000032516072	556443953	/nfs/dbraw/zinc/44/39/53/556443953.db2.gz	NUPIZZUFMJEFLG-QFIPXVFZSA-N	1	0	453.675	3.941	10	30		JHEERO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1	ZINC000036308320	518300340	/nfs/dbraw/zinc/30/03/40/518300340.db2.gz	SGWULWHXUBOMQZ-ZCYQVOJMSA-N	1	0	475.589	3.871	10	30		JHEERO
CC[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1ccc(C#CC(C)(C)O)o1)CCO2	ZINC000012132573	521423116	/nfs/dbraw/zinc/42/31/16/521423116.db2.gz	YVMSBWRPZJLYBH-UHFFFAOYSA-N	1	0	473.573	3.854	10	30		JHEERO
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC	ZINC000102518142	130171194	/nfs/dbraw/zinc/17/11/94/130171194.db2.gz	HXQGQUPAJCJDOD-UGUGFTGJSA-N	1	0	452.551	3.857	10	30		JHEERO
C=CC[NH+](CC=C)C[C@H](/C(C)=N/NC(N)=[NH2+])[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000048548090	569846487	/nfs/dbraw/zinc/84/64/87/569846487.db2.gz	IGTAYLRCURYNOH-PQLURMSFSA-N	1	0	473.577	3.780	10	30		JHEERO