smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[N@H+](CCC[NH3+])CCCC[NH3+])c2c1	ZINC000026721064	563035666	/nfs/dbraw/zinc/03/56/66/563035666.db2.gz	BIGAHIIWPDZJMX-UHFFFAOYSA-N	4	0	444.023	4.242	1	10		IICFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1	ZINC000013474317	562988727	/nfs/dbraw/zinc/98/87/27/562988727.db2.gz	MFLDBKOULWSBTE-UHFFFAOYSA-O	2	0	440.571	4.100	1	10		IICFRP
CC[NH+](CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3CC[NH+](CC)CC	ZINC000028758920	563063619	/nfs/dbraw/zinc/06/36/19/563063619.db2.gz	DZUHUMJPFXKZSP-UHFFFAOYSA-N	2	0	433.600	4.343	1	10		IICFRP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNC(=O)CC[NH3+])c2c1	ZINC000028713313	563063047	/nfs/dbraw/zinc/06/30/47/563063047.db2.gz	VPRYASVJCPFONI-UHFFFAOYSA-N	2	0	428.964	4.487	1	10		IICFRP
COc1nnc(Nc2cc(C[NH+]3CCCC3)c(O)c(C[NH+]3CCCC3)c2)c2ccccc21	ZINC000027893636	563048057	/nfs/dbraw/zinc/04/80/57/563048057.db2.gz	RIHLEBATZVVEKR-UHFFFAOYSA-N	2	0	433.556	4.279	1	10		IICFRP
CC[NH+](CC)Cc1cc(Nc2nc3ccccc3c(NCC[NH+]3CCCC3)n2)ccc1O	ZINC000029204979	563076415	/nfs/dbraw/zinc/07/64/15/563076415.db2.gz	AFAJAHBRZUZVCQ-UHFFFAOYSA-N	2	0	434.588	4.429	1	10		IICFRP
C[N+](C)(C)c1ccc(CNC(=O)c2cn(Cc3cccc(C(N)=[NH2+])c3)c3ccccc23)cc1	ZINC000013474337	562988712	/nfs/dbraw/zinc/98/87/12/562988712.db2.gz	KRQXSPZDISOEOT-UHFFFAOYSA-O	2	0	440.571	4.100	1	10		IICFRP
C[N+](C)=[N+]=Nc1ccc2c(c1)nc1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1	ZINC000040457158	563103792	/nfs/dbraw/zinc/10/37/92/563103792.db2.gz	FPQMLJDRTAEFLR-UHFFFAOYSA-N	2	0	434.525	4.378	1	10		IICFRP
CCc1c(O)c(O)ccc1CC[NH2+]CCCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000034276430	563086020	/nfs/dbraw/zinc/08/60/20/563086020.db2.gz	MYIQDTVRBUXQDS-UHFFFAOYSA-N	2	0	429.561	4.093	1	10		IICFRP
Oc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(Br)cc2)cc1O	ZINC000045209916	563125208	/nfs/dbraw/zinc/12/52/08/563125208.db2.gz	LNORRXABKAKBRQ-UHFFFAOYSA-N	2	0	435.406	4.385	1	10		IICFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH+](CC)CC)-c2ccccc2C(=O)c31	ZINC000028759072	563063561	/nfs/dbraw/zinc/06/35/61/563063561.db2.gz	JRALLSUFFWAXRE-UHFFFAOYSA-N	2	0	433.600	4.343	1	10		IICFRP
CCC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc(O)c(O)cc2C1	ZINC000028964177	563070946	/nfs/dbraw/zinc/07/09/46/563070946.db2.gz	BTNRAFHTPKZOBC-RUZDIDTESA-N	2	0	437.628	4.270	1	10		IICFRP
COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C[NH2+]C(C)(C)Cc2ccc3ccccc3c2)c1O	ZINC000028564730	563057798	/nfs/dbraw/zinc/05/77/98/563057798.db2.gz	ROZPFCVQFHWPAO-JWQCQUIFSA-N	2	0	448.607	4.490	1	10		IICFRP
CCC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2cc(O)c(O)cc2C1	ZINC000028964182	563070962	/nfs/dbraw/zinc/07/09/62/563070962.db2.gz	BTNRAFHTPKZOBC-VWLOTQADSA-N	2	0	437.628	4.270	1	10		IICFRP