smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708725	548332674	/nfs/dbraw/zinc/33/26/74/548332674.db2.gz	HVNCZQQSQPGTBH-LJQANCHMSA-N	1	3	371.529	2.195	10	30		FEEEHO
C=CCN1CCC(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708725	548332677	/nfs/dbraw/zinc/33/26/77/548332677.db2.gz	HVNCZQQSQPGTBH-LJQANCHMSA-N	1	3	371.529	2.195	10	30		FEEEHO
C#CCN1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514133	548326652	/nfs/dbraw/zinc/32/66/52/548326652.db2.gz	YSEBRGLRKLOWQD-KRWDZBQOSA-N	1	3	374.554	2.077	10	30		FEEEHO
C#CCN1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514133	548326656	/nfs/dbraw/zinc/32/66/56/548326656.db2.gz	YSEBRGLRKLOWQD-KRWDZBQOSA-N	1	3	374.554	2.077	10	30		FEEEHO
C=CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127854	543205001	/nfs/dbraw/zinc/20/50/01/543205001.db2.gz	LJZXFZGZIOXUIK-XLIONFOSSA-N	1	3	359.514	2.055	10	30		FEEEHO
N#CCCn1cc(C[NH2+]C[C@@H](O)CN2CCCCC2)c(-c2ccccc2)n1	ZINC000113326984	543484583	/nfs/dbraw/zinc/48/45/83/543484583.db2.gz	UQHWIFNYVIGUPH-HXUWFJFHSA-N	1	3	367.497	2.400	10	30		FEEEHO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000261948905	672906152	/nfs/dbraw/zinc/90/61/52/672906152.db2.gz	GSYDGKNPZKYUOT-AVEIZBFRSA-N	1	3	350.551	2.474	10	30		FEEEHO
C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708701	548331941	/nfs/dbraw/zinc/33/19/41/548331941.db2.gz	HVNCZQQSQPGTBH-IBGZPJMESA-N	1	3	371.529	2.195	10	30		FEEEHO
C=CCN1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708701	548331945	/nfs/dbraw/zinc/33/19/45/548331945.db2.gz	HVNCZQQSQPGTBH-IBGZPJMESA-N	1	3	371.529	2.195	10	30		FEEEHO
C=CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603952	549366291	/nfs/dbraw/zinc/36/62/91/549366291.db2.gz	LJZXFZGZIOXUIK-FXAWDEMLSA-N	1	3	359.514	2.055	10	30		FEEEHO
C=CCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127853	543204593	/nfs/dbraw/zinc/20/45/93/543204593.db2.gz	LJZXFZGZIOXUIK-PXNSSMCTSA-N	1	3	359.514	2.055	10	30		FEEEHO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000261953618	672905862	/nfs/dbraw/zinc/90/58/62/672905862.db2.gz	ICGWEQWIEOLEPG-CZUORRHYSA-N	1	3	362.909	2.381	10	30		FEEEHO
C=CCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603959	549366226	/nfs/dbraw/zinc/36/62/26/549366226.db2.gz	LJZXFZGZIOXUIK-YLJYHZDGSA-N	1	3	359.514	2.055	10	30		FEEEHO
N#CCCn1cc(C[NH2+]C[C@H](O)CN2CCCCC2)c(-c2ccccc2)n1	ZINC000113326982	543483767	/nfs/dbraw/zinc/48/37/67/543483767.db2.gz	UQHWIFNYVIGUPH-FQEVSTJZSA-N	1	3	367.497	2.400	10	30		FEEEHO
C#CCN1CCC(C(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514158	548326766	/nfs/dbraw/zinc/32/67/66/548326766.db2.gz	YSEBRGLRKLOWQD-QGZVFWFLSA-N	1	3	374.554	2.077	10	30		FEEEHO
C#CCN1CCC(C(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514158	548326770	/nfs/dbraw/zinc/32/67/70/548326770.db2.gz	YSEBRGLRKLOWQD-QGZVFWFLSA-N	1	3	374.554	2.077	10	30		FEEEHO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000261953619	672906095	/nfs/dbraw/zinc/90/60/95/672906095.db2.gz	ICGWEQWIEOLEPG-XJKSGUPXSA-N	1	3	362.909	2.381	10	30		FEEEHO
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000261948907	672906002	/nfs/dbraw/zinc/90/60/02/672906002.db2.gz	GSYDGKNPZKYUOT-QXDIGNSFSA-N	1	3	350.551	2.474	10	30		FEEEHO