smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4c[nH+]c(C)[nH]4)C3)CC2)cc1	ZINC000020452218	524431333	/nfs/dbraw/zinc/43/13/33/524431333.db2.gz	RCKNHIOCNSZBGA-HXUWFJFHSA-N	2	2	369.513	2.513	50	10		FFCALP
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4c[nH]c(C)[nH+]4)C3)CC2)cc1	ZINC000020452218	524431340	/nfs/dbraw/zinc/43/13/40/524431340.db2.gz	RCKNHIOCNSZBGA-HXUWFJFHSA-N	2	2	369.513	2.513	50	10		FFCALP
Oc1c(C[NH+]2CCOCC2)cc(-c2ccccc2)cc1C[NH+]1CCOCC1	ZINC000019313332	507165667	/nfs/dbraw/zinc/16/56/67/507165667.db2.gz	CXVZYMDJSOEVSV-UHFFFAOYSA-N	2	2	368.477	2.724	50	10		FFCALP
CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(OC)c1O)[NH2+][C@]2(CO)c1ccccc1	ZINC000065431449	221219189	/nfs/dbraw/zinc/21/91/89/221219189.db2.gz	HHEYIDPEAJPVHB-BAYUQKDNSA-N	2	2	368.477	2.501	50	10		FFCALP
CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc(OC)c1O)[NH2+][C@]2(CO)c1ccccc1	ZINC000065431449	221219190	/nfs/dbraw/zinc/21/91/90/221219190.db2.gz	HHEYIDPEAJPVHB-BAYUQKDNSA-N	2	2	368.477	2.501	50	10		FFCALP
COc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1Cn1cccn1	ZINC000019338031	220252012	/nfs/dbraw/zinc/25/20/12/220252012.db2.gz	KZBMSUVABNROFP-UHFFFAOYSA-N	2	2	374.448	2.811	50	10		FFCALP
Oc1ccccc1CNc1[nH+]c2ccccc2n1CC[NH+]1CCOCC1	ZINC000000809673	210273883	/nfs/dbraw/zinc/27/38/83/210273883.db2.gz	MWDQIYLWDRLJOQ-UHFFFAOYSA-N	2	2	352.438	2.686	50	10		FFCALP
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4c[nH+]c(C)[nH]4)C3)CC2)cc1	ZINC000020452220	524435254	/nfs/dbraw/zinc/43/52/54/524435254.db2.gz	RCKNHIOCNSZBGA-FQEVSTJZSA-N	2	2	369.513	2.513	50	10		FFCALP
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4c[nH]c(C)[nH+]4)C3)CC2)cc1	ZINC000020452220	524435257	/nfs/dbraw/zinc/43/52/57/524435257.db2.gz	RCKNHIOCNSZBGA-FQEVSTJZSA-N	2	2	369.513	2.513	50	10		FFCALP
COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1Cn1cncn1	ZINC000952968246	1011027641	/nfs/dbraw/zinc/02/76/41/1011027641.db2.gz	BKZXOPBUMDFCEE-UHFFFAOYSA-N	2	2	374.448	2.811	50	10		FFCALP
O=c1oc2c(ccc(O)c2C[NH2+]CCCn2cc[nH+]c2)c2c1CCCC2	ZINC000038776057	506444479	/nfs/dbraw/zinc/44/44/79/506444479.db2.gz	GLIDINLPCWRXKP-UHFFFAOYSA-N	2	2	353.422	2.754	50	10		FFCALP
C[NH+]1CCN(c2ccc(-c3[nH+]ccn3-c3ccc4[nH]nnc4c3)cc2)CC1	ZINC000067675200	136137407	/nfs/dbraw/zinc/13/74/07/136137407.db2.gz	VOBHLUXKICDEBP-UHFFFAOYSA-N	2	2	359.437	2.562	50	10		FFCALP