smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1Cn1cc[nH+]c1	ZINC000012117038	204372368	/nfs/dbraw/zinc/37/23/68/204372368.db2.gz	AENRFUXJWCKBEM-UHFFFAOYSA-N	2	2	377.488	4.118	40	10		GICBLP
CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2F)cc1	ZINC000013991172	570868837	/nfs/dbraw/zinc/86/88/37/570868837.db2.gz	QRQSLWBJBICYOE-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2F)cc1	ZINC000013991172	570868841	/nfs/dbraw/zinc/86/88/41/570868841.db2.gz	QRQSLWBJBICYOE-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(F)c(F)c2)cc1	ZINC000013991169	570868221	/nfs/dbraw/zinc/86/82/21/570868221.db2.gz	WJSGKYXSNSZZKN-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(F)c(F)c2)cc1	ZINC000013991169	570868224	/nfs/dbraw/zinc/86/82/24/570868224.db2.gz	WJSGKYXSNSZZKN-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
CN(C)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(F)cc(F)c2)cc1	ZINC000043277735	570626273	/nfs/dbraw/zinc/62/62/73/570626273.db2.gz	NYLCKXYAAPOCQQ-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
CN(C)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(F)cc(F)c2)cc1	ZINC000043277735	570626277	/nfs/dbraw/zinc/62/62/77/570626277.db2.gz	NYLCKXYAAPOCQQ-UHFFFAOYSA-N	2	2	384.474	4.320	40	10		GICBLP
COc1ccc(C[NH2+]C2(c3ccccc3F)CCCC2)cc1C[NH+]1CCOCC1	ZINC000012292853	570633709	/nfs/dbraw/zinc/63/37/09/570633709.db2.gz	WEZQBAXDRHSCDW-UHFFFAOYSA-N	2	2	398.522	4.226	40	10		GICBLP
C[NH+](C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2O)c1O	ZINC000001671245	212254644	/nfs/dbraw/zinc/25/46/44/212254644.db2.gz	REEOIFCSJWJBJO-UHFFFAOYSA-N	2	2	383.319	4.119	40	10		GICBLP
CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1Cn1cc[nH+]c1	ZINC000012128430	221156082	/nfs/dbraw/zinc/15/60/82/221156082.db2.gz	FOUCUWPDNNNKLC-SIKLNZKXSA-N	2	2	394.519	4.128	40	10		GICBLP