smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc([C@@H](O)[C@@H](O)c2cc(C[NH+]3CCOCC3)c(O)c(OCC)c2)cc(C[NH+]2CCOCC2)c1O	ZINC000017314103	553593164	/nfs/dbraw/zinc/59/31/64/553593164.db2.gz	KQZLIAOUPDWSKB-HNRBIFIRSA-N	2	2	532.634	2.327	40	10		KECBLP
CCOc1cc([C@H](O)[C@@H](O)c2cc(C[NH+]3CCOCC3)c(O)c(OCC)c2)cc(C[NH+]2CCOCC2)c1O	ZINC000031637389	553861411	/nfs/dbraw/zinc/86/14/11/553861411.db2.gz	KQZLIAOUPDWSKB-NSOVKSMOSA-N	2	2	532.634	2.327	40	10		KECBLP
CCOc1cc([C@@H](O)[C@H](O)c2cc(C[NH+]3CCOCC3)c(O)c(OCC)c2)cc(C[NH+]2CCOCC2)c1O	ZINC000031637393	553861363	/nfs/dbraw/zinc/86/13/63/553861363.db2.gz	KQZLIAOUPDWSKB-VSGBNLITSA-N	2	2	532.634	2.327	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NC1CCCCC1	ZINC000100035135	554187975	/nfs/dbraw/zinc/18/79/75/554187975.db2.gz	IQWSIUMETIAZNG-SCBHQVJWSA-N	2	2	509.695	2.438	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1cccc(F)c1	ZINC000100035181	554187913	/nfs/dbraw/zinc/18/79/13/554187913.db2.gz	VBWBVINIEYAKEO-REPBSQRQSA-N	2	2	535.664	2.445	40	10		KECBLP
CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC000100035183	554187935	/nfs/dbraw/zinc/18/79/35/554187935.db2.gz	QCYFQPQANAZBQU-AXJLXYLLSA-N	2	2	546.716	2.085	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccccc1	ZINC000106716214	571415487	/nfs/dbraw/zinc/41/54/87/571415487.db2.gz	PYVVSRSKDGDQGW-AYGVPYTISA-N	2	2	517.674	2.306	40	10		KECBLP
COc1ccc(N2CC[NH+](Cc3c(O)c(=O)cc(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)n3C)CC2)cc1	ZINC000217566249	1066363024	/nfs/dbraw/zinc/36/30/24/1066363024.db2.gz	LEIKQKSMHODYDC-FCHUYYIVSA-N	2	2	531.657	2.203	40	10		KECBLP
COc1ccc(N2CC[NH+](Cc3c(O)c(=O)cc(C[N@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)n3C)CC2)cc1	ZINC000217566249	1066363007	/nfs/dbraw/zinc/36/30/07/1066363007.db2.gz	LEIKQKSMHODYDC-FCHUYYIVSA-N	2	2	531.657	2.203	40	10		KECBLP
CN(CC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccccn3)[C@@H](C=CCO2)C1	ZINC000958317592	1066417818	/nfs/dbraw/zinc/41/78/18/1066417818.db2.gz	ACYXNKYVKDTVLU-ZEQRLZLVSA-N	2	2	534.705	2.289	40	10		KECBLP
CN(CC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3ccncc3)[C@@H](C=CCO2)C1	ZINC000958317594	1066417990	/nfs/dbraw/zinc/41/79/90/1066417990.db2.gz	BQRXVRBYZRLCFR-DQEYMECFSA-N	2	2	534.705	2.289	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NC1CCCCC1	ZINC000958317605	1066417777	/nfs/dbraw/zinc/41/77/77/1066417777.db2.gz	IQWSIUMETIAZNG-GOTSBHOMSA-N	2	2	509.695	2.438	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccccc1	ZINC000958317623	1066417808	/nfs/dbraw/zinc/41/78/08/1066417808.db2.gz	PYVVSRSKDGDQGW-DQEYMECFSA-N	2	2	517.674	2.306	40	10		KECBLP
CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC000958317624	1066417793	/nfs/dbraw/zinc/41/77/93/1066417793.db2.gz	QCYFQPQANAZBQU-DQEYMECFSA-N	2	2	546.716	2.085	40	10		KECBLP
CN(CC[NH+](C)C)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCc3cccnc3)[C@@H](C=CCO2)C1	ZINC000958317627	1066417900	/nfs/dbraw/zinc/41/79/00/1066417900.db2.gz	QNJNRLVZNAAVKF-DQEYMECFSA-N	2	2	534.705	2.289	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1cccc(F)c1	ZINC000958317630	1066417842	/nfs/dbraw/zinc/41/78/42/1066417842.db2.gz	VBWBVINIEYAKEO-ZEQRLZLVSA-N	2	2	535.664	2.445	40	10		KECBLP
CN(CCc1ccccn1)c1ccc2c(c1)C[NH2+]CC(=O)N1CC[C@@H](CC(=O)NCC[NH+](C)C)[C@@H](C=CCO2)C1	ZINC000958317643	1066417866	/nfs/dbraw/zinc/41/78/66/1066417866.db2.gz	DVOHFZBLXIJHHY-DQEYMECFSA-N	2	2	548.732	2.331	40	10		KECBLP
CN(Cc1cccnc1)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O	ZINC001534604389	1066431286	/nfs/dbraw/zinc/43/12/86/1066431286.db2.gz	CXDYYMYCVPJFJO-DQEYMECFSA-N	2	2	532.689	2.043	40	10		KECBLP
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O)NCc1ccccc1F	ZINC001534604464	1066431165	/nfs/dbraw/zinc/43/11/65/1066431165.db2.gz	NVVOSZDJNRLSTK-UPVQGACJSA-N	2	2	535.664	2.445	40	10		KECBLP