smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1cc(/C=C2\CCN(c3cc[nH+]cc3)S2(=O)=O)cc(C(C)(C)C)c1O	ZINC000013558274	581095022	/nfs/dbraw/zinc/09/50/22/581095022.db2.gz	UPVFSPIUJJDIPJ-QGOAFFKASA-N	1	2	414.571	4.963	1	0		HJAFLO
COc1cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c2c(Oc2cc[nH+]cc2)c1	ZINC000037858294	581099677	/nfs/dbraw/zinc/09/96/77/581099677.db2.gz	WERIFZUGFNVEFZ-UHFFFAOYSA-N	1	2	422.828	4.951	1	0		HJAFLO
C[C@@H](C(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181651	581095143	/nfs/dbraw/zinc/09/51/43/581095143.db2.gz	USIACVWKSQEQGG-GJULWVSJSA-N	1	2	423.463	4.635	1	0		HJAFLO
C[C@@H](C(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181651	581095144	/nfs/dbraw/zinc/09/51/44/581095144.db2.gz	USIACVWKSQEQGG-GJULWVSJSA-N	1	2	423.463	4.635	1	0		HJAFLO
C[C@H](C(=O)C[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181656	581095223	/nfs/dbraw/zinc/09/52/23/581095223.db2.gz	USIACVWKSQEQGG-UPKQVVFYSA-N	1	2	423.463	4.635	1	0		HJAFLO
C[C@H](C(=O)C[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000026181656	581095224	/nfs/dbraw/zinc/09/52/24/581095224.db2.gz	USIACVWKSQEQGG-UPKQVVFYSA-N	1	2	423.463	4.635	1	0		HJAFLO
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)Cc4ccccc4)nc3)c2cc1OC	ZINC000040393337	581097393	/nfs/dbraw/zinc/09/73/93/581097393.db2.gz	DDJPNYBAIMMFRO-UHFFFAOYSA-N	1	2	415.449	4.621	1	0		HJAFLO
CC[C@@H]1CC[N@@H+](C)[C@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000040953101	581099171	/nfs/dbraw/zinc/09/91/71/581099171.db2.gz	TVMVUMUJXVSING-QRWLVFNGSA-N	1	2	401.514	4.561	1	0		HJAFLO
CC[C@@H]1CC[N@@H+](C)[C@@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000052783841	581099223	/nfs/dbraw/zinc/09/92/23/581099223.db2.gz	TVMVUMUJXVSING-FOIQADDNSA-N	1	2	401.514	4.561	1	0		HJAFLO
O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)OCO3)[N@H+](C/C=C/c1ccccc1)C2	ZINC000013559273	581100882	/nfs/dbraw/zinc/10/08/82/581100882.db2.gz	CYBPJTIFGMMOIV-MDRWGITRSA-N	1	2	422.484	4.875	1	0		HJAFLO
O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)OCO3)[N@@H+](C/C=C/c1ccccc1)C2	ZINC000013559273	581100883	/nfs/dbraw/zinc/10/08/83/581100883.db2.gz	CYBPJTIFGMMOIV-MDRWGITRSA-N	1	2	422.484	4.875	1	0		HJAFLO
COc1cc(OC)cc(-c2cc3c[nH+]c(N)cc3nc2NC(=O)Nc2ccccc2)c1	ZINC000003815555	581100219	/nfs/dbraw/zinc/10/02/19/581100219.db2.gz	GVPPAUNFTPWQSI-UHFFFAOYSA-N	1	2	415.453	4.540	1	0		HJAFLO
O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)OCO3)[N@H+](C/C=C/c1ccccc1)C2	ZINC000013559274	581100922	/nfs/dbraw/zinc/10/09/22/581100922.db2.gz	CYBPJTIFGMMOIV-KXZPLDGJSA-N	1	2	422.484	4.875	1	0		HJAFLO
O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)OCO3)[N@@H+](C/C=C/c1ccccc1)C2	ZINC000013559274	581100923	/nfs/dbraw/zinc/10/09/23/581100923.db2.gz	CYBPJTIFGMMOIV-KXZPLDGJSA-N	1	2	422.484	4.875	1	0		HJAFLO
O=C(c1cnccn1)N1CCC2(CCC[N@@H+](c3cccc(-c4ccccc4)c3)C2)CC1	ZINC000003956128	132269240	/nfs/dbraw/zinc/26/92/40/132269240.db2.gz	AWMBIPXPBWQLRP-UHFFFAOYSA-N	1	2	412.537	4.666	1	0		HJAFLO
O=C(c1cnccn1)N1CCC2(CCC[N@H+](c3cccc(-c4ccccc4)c3)C2)CC1	ZINC000003956128	132269241	/nfs/dbraw/zinc/26/92/41/132269241.db2.gz	AWMBIPXPBWQLRP-UHFFFAOYSA-N	1	2	412.537	4.666	1	0		HJAFLO
O=C(c1csnn1)N1CCC2(CCC[N@@H+](c3cccc(-c4ccccc4)c3)C2)CC1	ZINC000003956140	132269249	/nfs/dbraw/zinc/26/92/49/132269249.db2.gz	UYOXGUDJSKVWBF-UHFFFAOYSA-N	1	2	418.566	4.728	1	0		HJAFLO
O=C(c1csnn1)N1CCC2(CCC[N@H+](c3cccc(-c4ccccc4)c3)C2)CC1	ZINC000003956140	132269251	/nfs/dbraw/zinc/26/92/51/132269251.db2.gz	UYOXGUDJSKVWBF-UHFFFAOYSA-N	1	2	418.566	4.728	1	0		HJAFLO
C[C@H](C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295082	581095170	/nfs/dbraw/zinc/09/51/70/581095170.db2.gz	USIACVWKSQEQGG-RBQRDFNRSA-N	1	2	423.463	4.635	1	0		HJAFLO
C[C@H](C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295082	581095171	/nfs/dbraw/zinc/09/51/71/581095171.db2.gz	USIACVWKSQEQGG-RBQRDFNRSA-N	1	2	423.463	4.635	1	0		HJAFLO
CC[C@H]1CC[N@@H+](C)[C@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000040953103	581099074	/nfs/dbraw/zinc/09/90/74/581099074.db2.gz	TVMVUMUJXVSING-YWZLYKJASA-N	1	2	401.514	4.561	1	0		HJAFLO
O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2c[nH+]c[nH]2)c2ccccc2C1	ZINC000013803045	581101749	/nfs/dbraw/zinc/10/17/49/581101749.db2.gz	ZRBWETQWWWTCTE-UHFFFAOYSA-N	1	2	408.505	4.739	1	0		HJAFLO
O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2c[nH]c[nH+]2)c2ccccc2C1	ZINC000013803045	581101750	/nfs/dbraw/zinc/10/17/50/581101750.db2.gz	ZRBWETQWWWTCTE-UHFFFAOYSA-N	1	2	408.505	4.739	1	0		HJAFLO
C[C@@H](C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295084	581095118	/nfs/dbraw/zinc/09/51/18/581095118.db2.gz	USIACVWKSQEQGG-ZAOYMGCJSA-N	1	2	423.463	4.635	1	0		HJAFLO
C[C@@H](C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1	ZINC000169295084	581095119	/nfs/dbraw/zinc/09/51/19/581095119.db2.gz	USIACVWKSQEQGG-ZAOYMGCJSA-N	1	2	423.463	4.635	1	0		HJAFLO
CC[C@H]1CC[N@@H+](C)[C@@H](Nc2c3ccccc3[nH]c(=O)c2-c2nc3ccccc3[nH]2)C1	ZINC000169291273	581099191	/nfs/dbraw/zinc/09/91/91/581099191.db2.gz	TVMVUMUJXVSING-MGPUTAFESA-N	1	2	401.514	4.561	1	0		HJAFLO