smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH2+]CCCN	ZINC000101173285	219118643	/nfs/dbraw/zinc/11/86/43/219118643.db2.gz	IVASDPGLHXNPTQ-ZLNRFVROSA-N	1	3	342.571	4.759	50	0		EJAAHO
c1ccc(C2CCC([NH+]3CCC(N4CCCCC4)CC3)CC2)cc1	ZINC000001225292	563380320	/nfs/dbraw/zinc/38/03/20/563380320.db2.gz	RRYAWQLOSDUAMD-UHFFFAOYSA-N	1	3	326.528	4.663	50	0		EJAAHO
c1ccc(C2CCC(N3CCC([NH+]4CCCCC4)CC3)CC2)cc1	ZINC000001225292	563380323	/nfs/dbraw/zinc/38/03/23/563380323.db2.gz	RRYAWQLOSDUAMD-UHFFFAOYSA-N	1	3	326.528	4.663	50	0		EJAAHO
Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2[nH+]1	ZINC000089583126	217815017	/nfs/dbraw/zinc/81/50/17/217815017.db2.gz	MPROOBHSBJVVIX-FQEVSTJZSA-N	1	3	335.451	4.775	50	0		EJAAHO
Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2[nH+]1	ZINC000089583130	564092950	/nfs/dbraw/zinc/09/29/50/564092950.db2.gz	MPROOBHSBJVVIX-HXUWFJFHSA-N	1	3	335.451	4.775	50	0		EJAAHO
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]CCCN)CCC[C@]21C	ZINC000044124495	564129245	/nfs/dbraw/zinc/12/92/45/564129245.db2.gz	IVASDPGLHXNPTQ-XPWALMASSA-N	1	3	342.571	4.759	50	0		EJAAHO
C[C@@H]1CCC[N@@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166993	563376971	/nfs/dbraw/zinc/37/69/71/563376971.db2.gz	RKMFYLNHYCBZIB-JSRJAPPDSA-N	1	3	340.555	4.909	50	0		EJAAHO
C[C@@H]1CCC[N@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166993	563376972	/nfs/dbraw/zinc/37/69/72/563376972.db2.gz	RKMFYLNHYCBZIB-JSRJAPPDSA-N	1	3	340.555	4.909	50	0		EJAAHO
C[C@@H]1CCCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166993	563376973	/nfs/dbraw/zinc/37/69/73/563376973.db2.gz	RKMFYLNHYCBZIB-JSRJAPPDSA-N	1	3	340.555	4.909	50	0		EJAAHO
C[C@H]1CCC[N@@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166992	563376982	/nfs/dbraw/zinc/37/69/82/563376982.db2.gz	RKMFYLNHYCBZIB-KPQWGBOZSA-N	1	3	340.555	4.909	50	0		EJAAHO
C[C@H]1CCC[N@H+](C2CCN(C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166992	563376984	/nfs/dbraw/zinc/37/69/84/563376984.db2.gz	RKMFYLNHYCBZIB-KPQWGBOZSA-N	1	3	340.555	4.909	50	0		EJAAHO
C[C@H]1CCCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)C1	ZINC000001166992	563376985	/nfs/dbraw/zinc/37/69/85/563376985.db2.gz	RKMFYLNHYCBZIB-KPQWGBOZSA-N	1	3	340.555	4.909	50	0		EJAAHO
CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH2+]CCCN)CCC[C@@]21C	ZINC000044124503	563926137	/nfs/dbraw/zinc/92/61/37/563926137.db2.gz	IVASDPGLHXNPTQ-VJBWXMMDSA-N	1	3	342.571	4.759	50	0		EJAAHO
c1ccc2c(c1)cccc2CNCc1ccccc1C[NH+]1CCCC1	ZINC000071928185	563805074	/nfs/dbraw/zinc/80/50/74/563805074.db2.gz	XFBSOXUYMOOPOA-UHFFFAOYSA-N	1	3	330.475	4.725	50	0		EJAAHO
CC(C)CN1CCC([NH2+]Cc2ccc(F)c(-c3cccs3)c2)CC1	ZINC000071817331	564175623	/nfs/dbraw/zinc/17/56/23/564175623.db2.gz	RMMPQRRNEDASTR-UHFFFAOYSA-N	1	3	346.515	4.764	50	0		EJAAHO
CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH2+]CCCN)CCC[C@]21C	ZINC000101173290	563982942	/nfs/dbraw/zinc/98/29/42/563982942.db2.gz	IVASDPGLHXNPTQ-DNVJHFABSA-N	1	3	342.571	4.759	50	0		EJAAHO