smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000100929226	557201635	/nfs/dbraw/zinc/20/16/35/557201635.db2.gz	URKMBVGYVBCIRQ-YGWPLHOASA-N	0	1	441.509	2.674	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000223067332	557425111	/nfs/dbraw/zinc/42/51/11/557425111.db2.gz	ZEBJOQIMHOXXFJ-NJSLBKSFSA-N	0	1	434.500	2.962	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103527092	557438396	/nfs/dbraw/zinc/43/83/96/557438396.db2.gz	YUSCMPHGYDSGAM-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103527092	557438398	/nfs/dbraw/zinc/43/83/98/557438398.db2.gz	YUSCMPHGYDSGAM-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009329177	569295592	/nfs/dbraw/zinc/29/55/92/569295592.db2.gz	IHHBCBQHEQVUOZ-FDGPYGQJSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843250	525589187	/nfs/dbraw/zinc/58/91/87/525589187.db2.gz	XXWJWFMHFBTDCO-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851636	526222072	/nfs/dbraw/zinc/22/20/72/526222072.db2.gz	YUSCMPHGYDSGAM-FLFXDLLNSA-N	0	1	446.463	2.643	40	5		IFBBMN
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000214669349	556339858	/nfs/dbraw/zinc/33/98/58/556339858.db2.gz	KYPGMMISHINOBQ-OQLLNIDSSA-N	0	1	429.410	2.984	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000034799052	556582651	/nfs/dbraw/zinc/58/26/51/556582651.db2.gz	MJFBFVYLUHLRPZ-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409350159	557078148	/nfs/dbraw/zinc/07/81/48/557078148.db2.gz	SZVDAEDCRSXVRJ-OQLLNIDSSA-N	0	1	435.458	2.604	40	5		IFBBMN
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000100929225	557201727	/nfs/dbraw/zinc/20/17/27/557201727.db2.gz	URKMBVGYVBCIRQ-HUYLIWGRSA-N	0	1	441.509	2.674	40	5		IFBBMN
O=C([O-])CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000408603956	557421114	/nfs/dbraw/zinc/42/11/14/557421114.db2.gz	CIDYKOXSBVINQH-IBGZPJMESA-N	0	1	442.428	2.867	40	5		IFBBMN
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	ZINC000016920697	569166374	/nfs/dbraw/zinc/16/63/74/569166374.db2.gz	QIOPJMNOVKKMEG-PXNMLYILSA-N	0	1	429.410	2.984	40	5		IFBBMN
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409095866	556630225	/nfs/dbraw/zinc/63/02/25/556630225.db2.gz	DRBWRQNZTQMTBL-OVCLIPMQSA-N	0	1	440.412	2.539	40	5		IFBBMN
COc1ccc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000408611531	557421955	/nfs/dbraw/zinc/42/19/55/557421955.db2.gz	SWGNNPUAMMCAOZ-SFHVURJKSA-N	0	1	427.457	2.967	40	5		IFBBMN
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc([N+](=O)[O-])c1O	ZINC000107860940	569251549	/nfs/dbraw/zinc/25/15/49/569251549.db2.gz	VKWJKGYWPFRLHP-GDNBJRDFSA-N	0	1	435.458	2.748	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009286901	569294975	/nfs/dbraw/zinc/29/49/75/569294975.db2.gz	KXONZDYINQEQJK-FLFXDLLNSA-N	0	1	446.463	2.643	40	5		IFBBMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851769	524059404	/nfs/dbraw/zinc/05/94/04/524059404.db2.gz	YZHAQZXTTRKELF-DBYOASNMSA-N	0	1	446.463	2.588	40	5		IFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851770	524059425	/nfs/dbraw/zinc/05/94/25/524059425.db2.gz	YZHAQZXTTRKELF-FDGPYGQJSA-N	0	1	446.463	2.588	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844138	525590261	/nfs/dbraw/zinc/59/02/61/525590261.db2.gz	DFFPYYJAFMBLNB-FVJVTNMWSA-N	0	1	446.463	2.643	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398975	556641109	/nfs/dbraw/zinc/64/11/09/556641109.db2.gz	BNKRKNJYSHBYFN-UHFFFAOYSA-N	0	1	428.452	2.571	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398970	556641133	/nfs/dbraw/zinc/64/11/33/556641133.db2.gz	ODGBOYVYTOBRSS-UHFFFAOYSA-N	0	1	434.843	2.608	40	5		IFBBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000013892113	556749353	/nfs/dbraw/zinc/74/93/53/556749353.db2.gz	HVFPGQWLEVNWOQ-NYYWCZLTSA-N	0	1	425.426	2.838	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398998	556820489	/nfs/dbraw/zinc/82/04/89/556820489.db2.gz	ZEBJOQIMHOXXFJ-PJIJBLCYSA-N	0	1	434.500	2.962	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102815898	557393098	/nfs/dbraw/zinc/39/30/98/557393098.db2.gz	DFFPYYJAFMBLNB-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000223067279	557425094	/nfs/dbraw/zinc/42/50/94/557425094.db2.gz	ZEBJOQIMHOXXFJ-CKFHNAJUSA-N	0	1	434.500	2.962	40	5		IFBBMN
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@@H]1[N+](=O)[O-]	ZINC000221835672	557500093	/nfs/dbraw/zinc/50/00/93/557500093.db2.gz	URKMBVGYVBCIRQ-XWPNQZOQSA-N	0	1	441.509	2.674	40	5		IFBBMN
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)o1	ZINC000107939116	569251788	/nfs/dbraw/zinc/25/17/88/569251788.db2.gz	FHVNGIHHIIMAKZ-VGOFMYFVSA-N	0	1	434.382	2.925	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009087066	569293646	/nfs/dbraw/zinc/29/36/46/569293646.db2.gz	HYDLLJOQCTWYSF-FLFXDLLNSA-N	0	1	446.463	2.588	40	5		IFBBMN
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014398976	557337125	/nfs/dbraw/zinc/33/71/25/557337125.db2.gz	DZVUAWBTEHGBLS-UHFFFAOYSA-N	0	1	427.504	2.735	40	5		IFBBMN
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000107598373	569250561	/nfs/dbraw/zinc/25/05/61/569250561.db2.gz	ZASZTXWNMDAMMG-UHFFFAOYSA-N	0	1	443.529	2.872	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851622	521798312	/nfs/dbraw/zinc/79/83/12/521798312.db2.gz	HYDLLJOQCTWYSF-ZVVFGRKBSA-N	0	1	446.463	2.588	40	5		IFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(CCC(C)C)c(=O)c3cc2c1=O	ZINC000040399089	556641564	/nfs/dbraw/zinc/64/15/64/556641564.db2.gz	MTKKKUJUSVJRMW-UHFFFAOYSA-N	0	1	435.484	2.955	40	5		IFBBMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	ZINC000013949616	556975865	/nfs/dbraw/zinc/97/58/65/556975865.db2.gz	NPPVQLFDBQSDPU-UHFFFAOYSA-N	0	1	439.515	2.960	40	5		IFBBMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104072845	557449779	/nfs/dbraw/zinc/44/97/79/557449779.db2.gz	IHHBCBQHEQVUOZ-DBYOASNMSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009109570	569293851	/nfs/dbraw/zinc/29/38/51/569293851.db2.gz	PNZBCPISBINHIY-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009359825	569295834	/nfs/dbraw/zinc/29/58/34/569295834.db2.gz	MJFBFVYLUHLRPZ-FLFXDLLNSA-N	0	1	446.463	2.643	40	5		IFBBMN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1	ZINC000002763563	569420572	/nfs/dbraw/zinc/42/05/72/569420572.db2.gz	ZBQULHFWTZVOBH-UHFFFAOYSA-N	0	1	445.457	2.873	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855233	521797451	/nfs/dbraw/zinc/79/74/51/521797451.db2.gz	MUDFLOGWSRAWHE-ZVVFGRKBSA-N	0	1	446.463	2.588	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035828588	526195447	/nfs/dbraw/zinc/19/54/47/526195447.db2.gz	VTQUSRNWSGYSPE-JSAFQYNZSA-N	0	1	446.463	2.643	40	5		IFBBMN
CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000100929231	557202101	/nfs/dbraw/zinc/20/21/01/557202101.db2.gz	URKMBVGYVBCIRQ-JOCLIGHLSA-N	0	1	441.509	2.674	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035844136	525590849	/nfs/dbraw/zinc/59/08/49/525590849.db2.gz	DFFPYYJAFMBLNB-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035833056	526195777	/nfs/dbraw/zinc/19/57/77/526195777.db2.gz	IHHBCBQHEQVUOZ-FIXDAVPBSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033676475	556620443	/nfs/dbraw/zinc/62/04/43/556620443.db2.gz	KXONZDYINQEQJK-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000409200863	556633537	/nfs/dbraw/zinc/63/35/37/556633537.db2.gz	JUMOLONDFFOZLZ-GDNBJRDFSA-N	0	1	437.474	2.994	40	5		IFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O	ZINC000040399112	556641465	/nfs/dbraw/zinc/64/14/65/556641465.db2.gz	UWWBBYYYRRVUCU-UHFFFAOYSA-N	0	1	445.435	2.550	40	5		IFBBMN
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc([N+](=O)[O-])c1O	ZINC000409199210	556998535	/nfs/dbraw/zinc/99/85/35/556998535.db2.gz	BUBPEJOEQGFCSZ-PDICVPPASA-N	0	1	435.458	2.746	40	5		IFBBMN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000019638479	520901941	/nfs/dbraw/zinc/90/19/41/520901941.db2.gz	IOPYNJABIHIRRB-UHFFFAOYSA-N	0	1	443.529	2.872	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035830085	526196616	/nfs/dbraw/zinc/19/66/16/526196616.db2.gz	WAPMDJIAMPNFDS-HMSHQKHKSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855563	526221076	/nfs/dbraw/zinc/22/10/76/526221076.db2.gz	PNZBCPISBINHIY-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855566	526221896	/nfs/dbraw/zinc/22/18/96/526221896.db2.gz	PNZBCPISBINHIY-FLFXDLLNSA-N	0	1	446.463	2.643	40	5		IFBBMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000020457205	527394336	/nfs/dbraw/zinc/39/43/36/527394336.db2.gz	USBHMUCJYCQLSG-UHFFFAOYSA-N	0	1	425.488	2.570	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000033676473	556620280	/nfs/dbraw/zinc/62/02/80/556620280.db2.gz	KXONZDYINQEQJK-FVJVTNMWSA-N	0	1	446.463	2.643	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398969	556641206	/nfs/dbraw/zinc/64/12/06/556641206.db2.gz	SUJRMCYAMSNGTA-UHFFFAOYSA-N	0	1	434.843	2.608	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102885486	557407763	/nfs/dbraw/zinc/40/77/63/557407763.db2.gz	MUDFLOGWSRAWHE-FLFXDLLNSA-N	0	1	446.463	2.588	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104017552	557449520	/nfs/dbraw/zinc/44/95/20/557449520.db2.gz	XXWJWFMHFBTDCO-ZVVFGRKBSA-N	0	1	446.463	2.643	40	5		IFBBMN
COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc([N+](=O)[O-])c1O	ZINC000409218145	556634537	/nfs/dbraw/zinc/63/45/37/556634537.db2.gz	YXIBMEGTKDHZMU-NVNXTCNLSA-N	0	1	437.474	2.991	40	5		IFBBMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409346314	556637685	/nfs/dbraw/zinc/63/76/85/556637685.db2.gz	JZJJJQRIFKXGCN-YBEGLDIGSA-N	0	1	449.485	2.994	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(Cc5ccccc5Cl)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399006	556641201	/nfs/dbraw/zinc/64/12/01/556641201.db2.gz	PXSCPCSWMRWXDU-UHFFFAOYSA-N	0	1	448.870	2.667	40	5		IFBBMN
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000408576401	557419038	/nfs/dbraw/zinc/41/90/38/557419038.db2.gz	XWKXJXFGUXIKGR-UHFFFAOYSA-N	0	1	442.472	2.784	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000223067169	557424996	/nfs/dbraw/zinc/42/49/96/557424996.db2.gz	ZEBJOQIMHOXXFJ-BIENJYKASA-N	0	1	434.500	2.962	40	5		IFBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O	ZINC000106755186	557532211	/nfs/dbraw/zinc/53/22/11/557532211.db2.gz	FUAXBBKDWYOSRX-DHDCSXOGSA-N	0	1	435.458	2.748	40	5		IFBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O	ZINC000409107368	556630094	/nfs/dbraw/zinc/63/00/94/556630094.db2.gz	PBNADSRVRYPPDJ-CXUHLZMHSA-N	0	1	440.412	2.539	40	5		IFBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O	ZINC000409014868	556920482	/nfs/dbraw/zinc/92/04/82/556920482.db2.gz	LUDQAANKNXPNCK-CXUHLZMHSA-N	0	1	440.412	2.539	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000223067219	557425129	/nfs/dbraw/zinc/42/51/29/557425129.db2.gz	ZEBJOQIMHOXXFJ-TYILLQQXSA-N	0	1	434.500	2.962	40	5		IFBBMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc([N+](=O)[O-])c1O	ZINC000106757399	557532207	/nfs/dbraw/zinc/53/22/07/557532207.db2.gz	YQSHABHLCJDSIB-GDNBJRDFSA-N	0	1	435.458	2.748	40	5		IFBBMN
Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009287082	569294956	/nfs/dbraw/zinc/29/49/56/569294956.db2.gz	XXWJWFMHFBTDCO-FVJVTNMWSA-N	0	1	446.463	2.643	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855236	521797755	/nfs/dbraw/zinc/79/77/55/521797755.db2.gz	MUDFLOGWSRAWHE-PLOUGOBLSA-N	0	1	446.463	2.588	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398988	556641117	/nfs/dbraw/zinc/64/11/17/556641117.db2.gz	HQDYIKIISCYLIU-UHFFFAOYSA-N	0	1	432.484	2.856	40	5		IFBBMN
CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-]	ZINC000100929228	557202024	/nfs/dbraw/zinc/20/20/24/557202024.db2.gz	URKMBVGYVBCIRQ-GEALJGNFSA-N	0	1	441.509	2.674	40	5		IFBBMN
O=C([O-])CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000408603958	557421085	/nfs/dbraw/zinc/42/10/85/557421085.db2.gz	CIDYKOXSBVINQH-LJQANCHMSA-N	0	1	442.428	2.867	40	5		IFBBMN
COc1ccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000408611530	557421968	/nfs/dbraw/zinc/42/19/68/557421968.db2.gz	SWGNNPUAMMCAOZ-GOSISDBHSA-N	0	1	427.457	2.967	40	5		IFBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000016124247	569225672	/nfs/dbraw/zinc/22/56/72/569225672.db2.gz	MYCIUPVADLAAIC-UHFFFAOYSA-N	0	1	439.515	2.879	40	5		IFBBMN
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc([N+](=O)[O-])c1O	ZINC000409199209	556633892	/nfs/dbraw/zinc/63/38/92/556633892.db2.gz	BUBPEJOEQGFCSZ-GPILYODUSA-N	0	1	435.458	2.746	40	5		IFBBMN
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1	ZINC000409228812	556635591	/nfs/dbraw/zinc/63/55/91/556635591.db2.gz	FNMIIRFCOYIIMH-CXUHLZMHSA-N	0	1	429.410	2.984	40	5		IFBBMN
COCCCn1ccc2nc3ccn(-c4nnc(C5CCCCC5)[nH]4)c(=O)c3cc2c1=O	ZINC000040399023	556641220	/nfs/dbraw/zinc/64/12/20/556641220.db2.gz	ZKXKONBSYMXJTA-UHFFFAOYSA-N	0	1	434.500	2.903	40	5		IFBBMN
COCCCn1ccc2nc3ccn(-c4n[nH]c(C5CCCCC5)n4)c(=O)c3cc2c1=O	ZINC000040399023	556641222	/nfs/dbraw/zinc/64/12/22/556641222.db2.gz	ZKXKONBSYMXJTA-UHFFFAOYSA-N	0	1	434.500	2.903	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398999	556820592	/nfs/dbraw/zinc/82/05/92/556820592.db2.gz	ZEBJOQIMHOXXFJ-IQUTYRLHSA-N	0	1	434.500	2.962	40	5		IFBBMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009288538	569295086	/nfs/dbraw/zinc/29/50/86/569295086.db2.gz	VTQUSRNWSGYSPE-AGFSROSKSA-N	0	1	446.463	2.643	40	5		IFBBMN
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409022870	556628461	/nfs/dbraw/zinc/62/84/61/556628461.db2.gz	VDIWQVWTOFXPHF-OVCLIPMQSA-N	0	1	440.412	2.539	40	5		IFBBMN
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1	ZINC000016920593	569166405	/nfs/dbraw/zinc/16/64/05/569166405.db2.gz	SPYPGJTXGMXGOQ-PXNMLYILSA-N	0	1	429.410	2.984	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009288550	569295062	/nfs/dbraw/zinc/29/50/62/569295062.db2.gz	VTQUSRNWSGYSPE-HMSHQKHKSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009350770	569295681	/nfs/dbraw/zinc/29/56/81/569295681.db2.gz	WAPMDJIAMPNFDS-AGFSROSKSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009350771	569295720	/nfs/dbraw/zinc/29/57/20/569295720.db2.gz	WAPMDJIAMPNFDS-JSAFQYNZSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000020048278	569332685	/nfs/dbraw/zinc/33/26/85/569332685.db2.gz	YOLBUGCZMMCBRL-UHFFFAOYSA-N	0	1	441.469	2.984	40	5		IFBBMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851635	526221756	/nfs/dbraw/zinc/22/17/56/526221756.db2.gz	YUSCMPHGYDSGAM-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OS(=O)(=O)c1ccccc1	ZINC000409345153	556637554	/nfs/dbraw/zinc/63/75/54/556637554.db2.gz	KAYWAZDWMOZMPS-CSKARUKUSA-N	0	1	445.409	2.743	40	5		IFBBMN
COCc1nc(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398968	556641194	/nfs/dbraw/zinc/64/11/94/556641194.db2.gz	NZWJRIYMKPMKNL-UHFFFAOYSA-N	0	1	434.843	2.608	40	5		IFBBMN
CCOC(=O)c1c(C)[nH]nc1-n1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O	ZINC000040399123	556641588	/nfs/dbraw/zinc/64/15/88/556641588.db2.gz	FOQRKWBLNQCLKH-UHFFFAOYSA-N	0	1	441.447	2.898	40	5		IFBBMN
O=C(c1cnc2c(ccc3c(O)c([N+](=O)[O-])cnc32)c1)N1CCN(Cc2ccccc2)CC1	ZINC000095641938	557317874	/nfs/dbraw/zinc/31/78/74/557317874.db2.gz	HPDVDDAVQSIBPH-UHFFFAOYSA-N	0	1	443.463	2.943	40	5		IFBBMN
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102815890	557393117	/nfs/dbraw/zinc/39/31/17/557393117.db2.gz	YZHAQZXTTRKELF-FIXDAVPBSA-N	0	1	446.463	2.588	40	5		IFBBMN
CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102888326	557407697	/nfs/dbraw/zinc/40/76/97/557407697.db2.gz	HYDLLJOQCTWYSF-PLOUGOBLSA-N	0	1	446.463	2.588	40	5		IFBBMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000033608210	557417276	/nfs/dbraw/zinc/41/72/76/557417276.db2.gz	BOFMSHYSRYEMQN-UHFFFAOYSA-N	0	1	427.442	2.675	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103551277	557438725	/nfs/dbraw/zinc/43/87/25/557438725.db2.gz	MJFBFVYLUHLRPZ-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103551277	557438728	/nfs/dbraw/zinc/43/87/28/557438728.db2.gz	MJFBFVYLUHLRPZ-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103556483	557438737	/nfs/dbraw/zinc/43/87/37/557438737.db2.gz	KXONZDYINQEQJK-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN
Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103556483	557438739	/nfs/dbraw/zinc/43/87/39/557438739.db2.gz	KXONZDYINQEQJK-PLOUGOBLSA-N	0	1	446.463	2.643	40	5		IFBBMN