smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]c2ccccc2c(Nc2ccc(N3CC[N@H+](C)[C@@H](C)C3)cc2)c1-c1ccccc1	ZINC000003962678	132269560	/nfs/dbraw/zinc/26/95/60/132269560.db2.gz	IJXRJXMYHWPNMW-FQEVSTJZSA-N	2	0	422.576	6.094	1	0		HKAFRP
c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2cc[nH+]cc2)CCCC1	ZINC000013801253	581091197	/nfs/dbraw/zinc/09/11/97/581091197.db2.gz	HAAQFCDOAGMIPV-UHFFFAOYSA-N	2	0	402.586	6.373	1	0		HKAFRP
c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCCNc2cc[nH+]cc2)CCCC1	ZINC000013801255	581091142	/nfs/dbraw/zinc/09/11/42/581091142.db2.gz	SOARTDIDZFKTKX-UHFFFAOYSA-N	2	0	416.613	6.763	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@@H]3C[C@@H]3c3ccc4c(c3)C(c3ccccc3)=[NH+]CC4)ccc2c1	ZINC000028366410	581097277	/nfs/dbraw/zinc/09/72/77/581097277.db2.gz	ALVYBVAQSFMTGH-IZZNHLLZSA-N	2	0	415.540	5.788	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@H]3C[C@@H]3c3ccc4c(c3)C(c3ccccc3)=[NH+]CC4)ccc2c1	ZINC000028366417	581097217	/nfs/dbraw/zinc/09/72/17/581097217.db2.gz	ALVYBVAQSFMTGH-CLJLJLNGSA-N	2	0	415.540	5.788	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@@H]3C[C@@H]3c3ccc4c(c3)C(C3CCCCC3)=[NH+]CC4)ccc2c1	ZINC000028366621	581097312	/nfs/dbraw/zinc/09/73/12/581097312.db2.gz	OOFRCFJPOZMMHV-IZZNHLLZSA-N	2	0	421.588	6.320	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@H]3C[C@@H]3c3ccc4c(c3)C(C3CCCCC3)=[NH+]CC4)ccc2c1	ZINC000028366626	581097211	/nfs/dbraw/zinc/09/72/11/581097211.db2.gz	OOFRCFJPOZMMHV-CLJLJLNGSA-N	2	0	421.588	6.320	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccc4c(c3)C(c3ccccc3)=[NH+]CC4)ccc2c1	ZINC000034717866	581097327	/nfs/dbraw/zinc/09/73/27/581097327.db2.gz	ALVYBVAQSFMTGH-FTJBHMTQSA-N	2	0	415.540	5.788	1	0		HKAFRP
NC(=[NH2+])c1cc2c(cccc2O[C@@H](C[NH2+]Cc2ccccc2)c2ccccc2)s1	ZINC000045366270	581096713	/nfs/dbraw/zinc/09/67/13/581096713.db2.gz	NFJBOMRZPXKWOS-NRFANRHFSA-N	2	0	401.535	5.095	1	0		HKAFRP
NC(=[NH2+])c1cc2c(cccc2O[C@H](C[NH2+]Cc2ccccc2)c2ccccc2)s1	ZINC000045366273	581096683	/nfs/dbraw/zinc/09/66/83/581096683.db2.gz	NFJBOMRZPXKWOS-OAQYLSRUSA-N	2	0	401.535	5.095	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@@H]3C[C@H]3c3ccc4c(c3)C(C3CCCCC3)=[NH+]CC4)ccc2c1	ZINC000058538673	581097221	/nfs/dbraw/zinc/09/72/21/581097221.db2.gz	OOFRCFJPOZMMHV-UIOOFZCWSA-N	2	0	421.588	6.320	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@@H]3C[C@H]3c3ccc4c(c3)C(c3ccccc3)=[NH+]CC4)ccc2c1	ZINC000136184385	581097262	/nfs/dbraw/zinc/09/72/62/581097262.db2.gz	ALVYBVAQSFMTGH-UIOOFZCWSA-N	2	0	415.540	5.788	1	0		HKAFRP
NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccc4c(c3)C(C3CCCCC3)=[NH+]CC4)ccc2c1	ZINC000137518686	581097325	/nfs/dbraw/zinc/09/73/25/581097325.db2.gz	OOFRCFJPOZMMHV-FTJBHMTQSA-N	2	0	421.588	6.320	1	0		HKAFRP