smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](C[NH3+])C3)c2)CC1	ZINC000217701773	570320106	/nfs/dbraw/zinc/32/01/06/570320106.db2.gz	QKWOLWSUPBFUPF-HNNXBMFYSA-N	1	0	380.514	0.434	50	70		GCIARO
CCn1nccc1S(=O)(=O)N1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1	ZINC000218228775	570328239	/nfs/dbraw/zinc/32/82/39/570328239.db2.gz	BPNYIEBMWUCIKK-OAHLLOKOSA-N	1	0	382.490	0.289	50	70		GCIARO
CN(C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CCC([NH3+])CC1	ZINC000161472310	570587995	/nfs/dbraw/zinc/58/79/95/570587995.db2.gz	LYLNZKJLZUYTEC-JMLCCBQJSA-N	1	0	399.495	0.852	50	70		GCIARO
CN(C)C(=O)C[C@H](O)c1cc2n(n1)CCN(C(=O)C[NH+]1CCCCCC1)C2	ZINC000218091002	570325030	/nfs/dbraw/zinc/32/50/30/570325030.db2.gz	YSLODRVMDCGTSM-KRWDZBQOSA-N	1	0	377.489	0.613	50	70		GCIARO
C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000161291481	529990246	/nfs/dbraw/zinc/99/02/46/529990246.db2.gz	RFTGVZPLNUOHGA-YOEHRIQHSA-N	1	0	385.468	0.334	50	70		GCIARO
C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000161291786	530002997	/nfs/dbraw/zinc/00/29/97/530002997.db2.gz	RFTGVZPLNUOHGA-RHSMWYFYSA-N	1	0	385.468	0.334	50	70		GCIARO
CCn1nccc1S(=O)(=O)N1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1	ZINC000218228718	570328366	/nfs/dbraw/zinc/32/83/66/570328366.db2.gz	BPNYIEBMWUCIKK-HNNXBMFYSA-N	1	0	382.490	0.289	50	70		GCIARO
CS(=O)(=O)N1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218297416	570330361	/nfs/dbraw/zinc/33/03/61/570330361.db2.gz	QYRYFVYGZPPWHG-UHFFFAOYSA-N	1	0	399.513	0.799	50	70		GCIARO
CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CCN(C(=O)C[NH+]1CCCCCC1)C2	ZINC000218090928	570325051	/nfs/dbraw/zinc/32/50/51/570325051.db2.gz	YSLODRVMDCGTSM-QGZVFWFLSA-N	1	0	377.489	0.613	50	70		GCIARO
CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1	ZINC000218128588	570325583	/nfs/dbraw/zinc/32/55/83/570325583.db2.gz	ZHLBKHFRRBHHTG-FCGDIQPGSA-N	1	0	379.526	0.946	50	70		GCIARO
C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000161291569	530002966	/nfs/dbraw/zinc/00/29/66/530002966.db2.gz	RFTGVZPLNUOHGA-PBHICJAKSA-N	1	0	385.468	0.334	50	70		GCIARO
C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1	ZINC000161291667	529990487	/nfs/dbraw/zinc/99/04/87/529990487.db2.gz	RFTGVZPLNUOHGA-WMLDXEAASA-N	1	0	385.468	0.334	50	70		GCIARO
Cn1nc2cccc(S(=O)(=O)N3CCC(CO)(C[NH+]4CCCC4)CC3)c2n1	ZINC000218687458	570339309	/nfs/dbraw/zinc/33/93/09/570339309.db2.gz	UNNNNVRJVWREDF-UHFFFAOYSA-N	1	0	393.513	0.827	50	70		GCIARO
CN1CC[NH+](CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)CC1	ZINC000218389786	570333252	/nfs/dbraw/zinc/33/32/52/570333252.db2.gz	CRLWSUQBGRDJIA-RTBURBONSA-N	1	0	377.485	0.469	50	70		GCIARO