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)c1n2ccccc2c2c3c4ccccn4c(=[N+](C)C)n3c3cc([N+](=O)[O-])ccc3[n+]21	ZINC000001651694	562923846	/nfs/dbraw/zinc/92/38/46/562923846.db2.gz	XEEYDRDWCCBPAB-UHFFFAOYSA-N	2	0	441.495	2.863	1	5		IFBFRP
COc1ccc2nc3c4c(ccc3C(=O)NCC[NH+](C)C)n(CCC[NH+](C)C)[nH]c4c2c1	ZINC000026992389	563038812	/nfs/dbraw/zinc/03/88/12/563038812.db2.gz	OEBGZSGWQMSCBK-UHFFFAOYSA-N	2	0	436.560	2.923	1	5		IFBFRP
C[NH+](C)CCNc1ccc2c(c1)c1cnc3cc4c(cc3c1n(CC[NH+](C)C)c2=O)OCO4	ZINC000040421483	563102221	/nfs/dbraw/zinc/10/22/21/563102221.db2.gz	IRCMQKKHKYUNMQ-UHFFFAOYSA-N	2	0	447.539	2.967	1	5		IFBFRP
C[N+](C)(C)CCCCCC[N@@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000299827157	717180862	/nfs/dbraw/zinc/18/08/62/717180862.db2.gz	GHJAWSFCIDDAHY-GQWOLCGKSA-N	2	0	446.632	2.700	1	5		IFBFRP
C[NH+](C)CCCNc1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(CCC[NH+](C)C)C3=O	ZINC000040421611	563102316	/nfs/dbraw/zinc/10/23/16/563102316.db2.gz	ZNTWTXCFEODHPR-UHFFFAOYSA-N	2	0	427.505	2.659	1	5		IFBFRP
C[NH+](C)CCNc1ccc2c3cnc4cc5c(cc4c3n(CC[NH+](C)C)c(=O)c2c1)OCO5	ZINC000045498525	563134734	/nfs/dbraw/zinc/13/47/34/563134734.db2.gz	APIQRTRDOJMIQH-UHFFFAOYSA-N	2	0	447.539	2.967	1	5		IFBFRP
C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+](C)(C)C)ccc1-2	ZINC000013557220	562993301	/nfs/dbraw/zinc/99/33/01/562993301.db2.gz	LKTFCULVDFWBGL-UHFFFAOYSA-P	2	0	438.572	2.968	1	5		IFBFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000073240157	563171282	/nfs/dbraw/zinc/17/12/82/563171282.db2.gz	HWDAGQMTTHGYOU-RTWAWAEBSA-N	2	0	435.484	2.610	1	5		IFBFRP
C[N+](C)(C)CCCCCC[N@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000299827161	717180793	/nfs/dbraw/zinc/18/07/93/717180793.db2.gz	GHJAWSFCIDDAHY-JSHAMVLMSA-N	2	0	446.632	2.700	1	5		IFBFRP
C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+]2CCCC2)c2cc(O)ccc2nc31	ZINC000026995922	563038937	/nfs/dbraw/zinc/03/89/37/563038937.db2.gz	OEZYBIXLAGZEJI-UHFFFAOYSA-N	2	0	434.544	2.764	1	5		IFBFRP
C[NH+](C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CC[NH+](C)C)c3nc21	ZINC000045299298	563128980	/nfs/dbraw/zinc/12/89/80/563128980.db2.gz	HWTROEPEYGKVFD-UHFFFAOYSA-N	2	0	435.572	2.524	1	5		IFBFRP
NC(=[NH2+])c1ccc(NCCCCCNc2ccc(C(N)=[NH2+])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000027440320	563042452	/nfs/dbraw/zinc/04/24/52/563042452.db2.gz	UKXIBOJBHONNSI-UHFFFAOYSA-N	2	0	428.453	2.765	1	5		IFBFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000073240152	563171289	/nfs/dbraw/zinc/17/12/89/563171289.db2.gz	HWDAGQMTTHGYOU-NHCUHLMSSA-N	2	0	435.484	2.610	1	5		IFBFRP