smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(Oc3ccccc3)cc21	ZINC000002042660	209343065	/nfs/dbraw/zinc/34/30/65/209343065.db2.gz	YZERXGOIZQSVOM-LJQANCHMSA-N	1	3	377.532	5.950	40	0		GKABHO
CN(C)CCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000008373822	570529679	/nfs/dbraw/zinc/52/96/79/570529679.db2.gz	YMWQRYFTHDAYCT-UHFFFAOYSA-N	1	3	382.935	5.114	40	0		GKABHO
c1ccc(C[N@@H+]2CC[C@@H](N[C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000034086991	570647332	/nfs/dbraw/zinc/64/73/32/570647332.db2.gz	SUPUOCXWGNFONI-UPRLRBBYSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@H+]2CC[C@@H](N[C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000034086991	570647333	/nfs/dbraw/zinc/64/73/33/570647333.db2.gz	SUPUOCXWGNFONI-UPRLRBBYSA-N	1	3	396.578	5.712	40	0		GKABHO
CCCC[NH+](CCCC)CCCNc1c2cc(OC)ccc2nc2c1CCCC2	ZINC000001683246	212254535	/nfs/dbraw/zinc/25/45/35/212254535.db2.gz	OUCKKMXZCBPJFH-UHFFFAOYSA-N	1	3	397.607	5.826	40	0		GKABHO
CN1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCCCC3)CC2)C1	ZINC000257253403	206167410	/nfs/dbraw/zinc/16/74/10/206167410.db2.gz	JYUQCBMQZRAYIV-UHFFFAOYSA-N	1	3	384.608	5.485	40	0		GKABHO
CN1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCCCC3)CC2)C1	ZINC000257253403	206167413	/nfs/dbraw/zinc/16/74/13/206167413.db2.gz	JYUQCBMQZRAYIV-UHFFFAOYSA-N	1	3	384.608	5.485	40	0		GKABHO
CN(C)CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000008373818	570529506	/nfs/dbraw/zinc/52/95/06/570529506.db2.gz	WQOQHSDADQEFDH-UHFFFAOYSA-N	1	3	382.935	5.114	40	0		GKABHO
NCc1ccc(-c2ccc(-c3ccc(-c4ccc(C[NH3+])s4)s3)s2)s1	ZINC000001652906	570266833	/nfs/dbraw/zinc/26/68/33/570266833.db2.gz	LHUKMMGFRNAJEZ-UHFFFAOYSA-N	1	3	388.608	5.851	40	0		GKABHO
CCN(CC)CCC[NH2+]Cc1cc(-c2ccccc2)nc2cc(Cl)ccc12	ZINC000001729527	570267685	/nfs/dbraw/zinc/26/76/85/570267685.db2.gz	MYUSWQREYAXQNJ-UHFFFAOYSA-N	1	3	381.951	5.377	40	0		GKABHO
c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563452	570656657	/nfs/dbraw/zinc/65/66/57/570656657.db2.gz	SUPUOCXWGNFONI-PKTNWEFCSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563452	570656658	/nfs/dbraw/zinc/65/66/58/570656658.db2.gz	SUPUOCXWGNFONI-PKTNWEFCSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000245227679	231040172	/nfs/dbraw/zinc/04/01/72/231040172.db2.gz	SUPUOCXWGNFONI-KCHLEUMXSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000245227679	231040176	/nfs/dbraw/zinc/04/01/76/231040176.db2.gz	SUPUOCXWGNFONI-KCHLEUMXSA-N	1	3	396.578	5.712	40	0		GKABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Oc3ccccc3)ccc21	ZINC000001729659	570267533	/nfs/dbraw/zinc/26/75/33/570267533.db2.gz	ITYQJLOPXWLWNV-IBGZPJMESA-N	1	3	377.532	5.950	40	0		GKABHO
CC(C)CC[NH+](CCCNc1c2ccccc2nc2c1CCCC2)CCC(C)C	ZINC000001666888	209335973	/nfs/dbraw/zinc/33/59/73/209335973.db2.gz	BMXXICQIKUELKG-UHFFFAOYSA-N	1	3	395.635	6.310	40	0		GKABHO
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Oc3ccccc3)ccc21	ZINC000002044524	212261732	/nfs/dbraw/zinc/26/17/32/212261732.db2.gz	ITYQJLOPXWLWNV-LJQANCHMSA-N	1	3	377.532	5.950	40	0		GKABHO
CC(C)(C)[NH+](C/C=C\CN(Cc1ccccc1)Cc1ccccc1)C(C)(C)C	ZINC000017110216	221379980	/nfs/dbraw/zinc/37/99/80/221379980.db2.gz	MKKDEDXLIQXQLI-YPKPFQOOSA-N	1	3	378.604	6.144	40	0		GKABHO
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2ccc(Oc3ccccc3)cc21	ZINC000001729658	212254206	/nfs/dbraw/zinc/25/42/06/212254206.db2.gz	YZERXGOIZQSVOM-IBGZPJMESA-N	1	3	377.532	5.950	40	0		GKABHO
c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000034086990	570557627	/nfs/dbraw/zinc/55/76/27/570557627.db2.gz	SUPUOCXWGNFONI-IARZGTGTSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCc4ccccc43)[C@H](c3ccccc3)C2)cc1	ZINC000034086990	570557632	/nfs/dbraw/zinc/55/76/32/570557632.db2.gz	SUPUOCXWGNFONI-IARZGTGTSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563450	570656761	/nfs/dbraw/zinc/65/67/61/570656761.db2.gz	SUPUOCXWGNFONI-FCEKVYKBSA-N	1	3	396.578	5.712	40	0		GKABHO
c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCc4ccccc43)[C@@H](c3ccccc3)C2)cc1	ZINC000013563450	570656765	/nfs/dbraw/zinc/65/67/65/570656765.db2.gz	SUPUOCXWGNFONI-FCEKVYKBSA-N	1	3	396.578	5.712	40	0		GKABHO