smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN1C(=O)c2cccc3c4c(cc(c32)C1=O)nnn4CCC[NH+](C)C	ZINC000082153187	205389293	/nfs/dbraw/zinc/38/92/93/205389293.db2.gz	WXUHPAUCHCAIPF-UHFFFAOYSA-N	1	3	394.479	1.694	1	0		GDAFHO
CN(C)CCNc1nc(NCC[NH+](C)C)nc(N2CCCc3ccccc32)n1	ZINC000058506732	136155539	/nfs/dbraw/zinc/15/55/39/136155539.db2.gz	ZVINHRBROKKFIN-UHFFFAOYSA-N	1	3	384.532	1.903	1	0		GDAFHO
CCNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CC)ccc1-2	ZINC000096938159	208332076	/nfs/dbraw/zinc/33/20/76/208332076.db2.gz	KHXCNSLDHBLAQA-UHFFFAOYSA-N	1	3	380.448	1.994	1	0		GDAFHO
CN(C(=O)COc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1)c1ccccc1	ZINC000016954273	206297192	/nfs/dbraw/zinc/29/71/92/206297192.db2.gz	QOTIFYPZLMYTRL-UHFFFAOYSA-N	1	3	380.452	1.914	1	0		GDAFHO
O=C([C@@H]1C[C@H](N2CCN(c3ccnc4ccccc43)CC2)C[NH2+]1)N1CCSC1	ZINC000022453848	207253851	/nfs/dbraw/zinc/25/38/51/207253851.db2.gz	BMXBRFOOCBUQMA-LPHOPBHVSA-N	1	3	397.548	1.620	1	0		GDAFHO
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)CN1CCCC1	ZINC000023338191	209176082	/nfs/dbraw/zinc/17/60/82/209176082.db2.gz	BNFDQSYANADYJY-IBGZPJMESA-N	1	3	386.496	1.653	1	0		GDAFHO
CN(C)CCn1nnc2cc3c4c(cccc4C(=O)N(CCC[NH+](C)C)C3=O)c21	ZINC000082153521	222311245	/nfs/dbraw/zinc/31/12/45/222311245.db2.gz	NLQVIEPODYFPBE-UHFFFAOYSA-N	1	3	394.479	1.694	1	0		GDAFHO
COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)CN1CCCC1	ZINC000023338193	212106254	/nfs/dbraw/zinc/10/62/54/212106254.db2.gz	BNFDQSYANADYJY-LJQANCHMSA-N	1	3	386.496	1.653	1	0		GDAFHO