smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(N2CCN(Cc3csc4ccccc34)CC2)c2ncccc12	ZINC000032908993	527362493	/nfs/dbraw/zinc/36/24/93/527362493.db2.gz	VTWNKJXRQSRYDZ-UHFFFAOYSA-N	0	1	404.495	4.680	50	5		HJBAMN
Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	ZINC000004474674	558599653	/nfs/dbraw/zinc/59/96/53/558599653.db2.gz	PSPYSXQQDKBXKX-HXUWFJFHSA-N	0	1	402.450	4.862	50	5	aggregator	HJBAMN
CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000034678773	568726892	/nfs/dbraw/zinc/72/68/92/568726892.db2.gz	ACIFNFNFUPHVHK-UHFFFAOYSA-N	0	1	409.530	4.811	50	5		HJBAMN
CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1	ZINC000008928047	571160197	/nfs/dbraw/zinc/16/01/97/571160197.db2.gz	IRRMBPAWXGFCAY-LJQANCHMSA-N	0	1	424.482	4.723	50	5		HJBAMN
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1	ZINC000010732130	558433167	/nfs/dbraw/zinc/43/31/67/558433167.db2.gz	UOUHATAZLBMRPG-SNVBAGLBSA-N	0	1	420.878	4.643	50	5		HJBAMN
COc1ccc(-c2cc(C3CCN(c4ccc(C(C)=O)cc4[N+](=O)[O-])CC3)n[nH]2)cc1	ZINC000008577957	132330303	/nfs/dbraw/zinc/33/03/03/132330303.db2.gz	FLATXKIJZOSKEB-UHFFFAOYSA-N	0	1	420.469	4.580	50	5	aggregator	HJBAMN
CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1[N+](=O)[O-]	ZINC000022135466	558994586	/nfs/dbraw/zinc/99/45/86/558994586.db2.gz	URRVUGXTRWOMPL-UHFFFAOYSA-N	0	1	419.393	4.760	50	5		HJBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1	ZINC000001066797	568766046	/nfs/dbraw/zinc/76/60/46/568766046.db2.gz	NWJGOEYYARSFDS-UHFFFAOYSA-N	0	1	411.464	4.672	50	5		HJBAMN
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F	ZINC000084019858	568933278	/nfs/dbraw/zinc/93/32/78/568933278.db2.gz	AZYSOCAUBVVILN-UHFFFAOYSA-N	0	1	411.723	4.881	50	5		HJBAMN
O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1	ZINC000013142644	569409969	/nfs/dbraw/zinc/40/99/69/569409969.db2.gz	GQQISVVLMAVEAG-UHFFFAOYSA-N	0	1	417.391	4.783	50	5		HJBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000004555217	558720632	/nfs/dbraw/zinc/72/06/32/558720632.db2.gz	HRNDKIVQOUJNTC-INIZCTEOSA-N	0	1	406.895	4.505	50	5		HJBAMN
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O	ZINC000095950237	568667451	/nfs/dbraw/zinc/66/74/51/568667451.db2.gz	IEUJSVVMHMDOGK-UHFFFAOYSA-N	0	1	412.895	4.669	50	5		HJBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1	ZINC000001110774	568770575	/nfs/dbraw/zinc/77/05/75/568770575.db2.gz	UJXGJOJPGZTPQI-UHFFFAOYSA-N	0	1	400.481	4.688	50	5		HJBAMN
CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037587921	569308202	/nfs/dbraw/zinc/30/82/02/569308202.db2.gz	YDIFEXWOIDNVQV-UHFFFAOYSA-N	0	1	413.493	4.778	50	5		HJBAMN
CCOc1ccc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000011027069	569397780	/nfs/dbraw/zinc/39/77/80/569397780.db2.gz	UFCMFINZZMNXSH-UHFFFAOYSA-N	0	1	416.268	4.572	50	5		HJBAMN
Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1	ZINC000004697634	558900968	/nfs/dbraw/zinc/90/09/68/558900968.db2.gz	JWSPOYWIADRWOW-HXUWFJFHSA-N	0	1	402.450	4.862	50	5		HJBAMN
COCCCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1	ZINC000096299888	568722960	/nfs/dbraw/zinc/72/29/60/568722960.db2.gz	NKQUDDKAARAJSO-UHFFFAOYSA-N	0	1	411.477	4.622	50	5		HJBAMN
Cc1ccc(N(C(=O)c2ccco2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000037580759	569308159	/nfs/dbraw/zinc/30/81/59/569308159.db2.gz	BPSWUTBCOHMGDN-UHFFFAOYSA-N	0	1	419.481	4.808	50	5		HJBAMN
COc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)cc([N+](=O)[O-])c1O	ZINC000005032509	559230699	/nfs/dbraw/zinc/23/06/99/559230699.db2.gz	ACNROAKKCUQXHF-HXUWFJFHSA-N	0	1	421.497	4.855	50	5		HJBAMN
CCSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2	ZINC000102670378	560819559	/nfs/dbraw/zinc/81/95/59/560819559.db2.gz	YQBILMPFNBXHQI-HNNXBMFYSA-N	0	1	405.867	4.623	50	5		HJBAMN
CSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1C(=O)CC(C)(C)CC1=N2	ZINC000102674475	560819594	/nfs/dbraw/zinc/81/95/94/560819594.db2.gz	PNWLOOBZUMCBMF-OAHLLOKOSA-N	0	1	419.894	4.869	50	5		HJBAMN
O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000034678751	568726626	/nfs/dbraw/zinc/72/66/26/568726626.db2.gz	GXOBVWITPDNCTG-UHFFFAOYSA-N	0	1	415.493	4.906	50	5		HJBAMN
Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000005796926	568734165	/nfs/dbraw/zinc/73/41/65/568734165.db2.gz	SSNRRZGECVIQRH-LJQANCHMSA-N	0	1	408.435	4.920	50	5		HJBAMN
O=[N+]([O-])c1cc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c2c(c1)COCO2	ZINC000070021947	571254562	/nfs/dbraw/zinc/25/45/62/571254562.db2.gz	XSIWRCDVLHDFJF-UHFFFAOYSA-N	0	1	411.361	4.649	50	5		HJBAMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000102815810	560829377	/nfs/dbraw/zinc/82/93/77/560829377.db2.gz	PLOPWMYQCBQURQ-UHFFFAOYSA-N	0	1	413.321	4.716	50	5		HJBAMN
CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cc([N+](=O)[O-])ccc1O	ZINC000019792963	569430111	/nfs/dbraw/zinc/43/01/11/569430111.db2.gz	ANNBWADCPHUADV-UHFFFAOYSA-N	0	1	401.806	4.731	50	5		HJBAMN
Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1	ZINC000005441790	560587621	/nfs/dbraw/zinc/58/76/21/560587621.db2.gz	ATODHDPKLIVRHF-LJQANCHMSA-N	0	1	408.435	4.920	50	5		HJBAMN
Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001076151	568765402	/nfs/dbraw/zinc/76/54/02/568765402.db2.gz	CLLRTEISESQYPM-UHFFFAOYSA-N	0	1	414.508	4.996	50	5		HJBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl	ZINC000005048570	559235549	/nfs/dbraw/zinc/23/55/49/559235549.db2.gz	XICKADQPMHRCBG-UHFFFAOYSA-N	0	1	406.847	4.674	50	5		HJBAMN
Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)o1	ZINC000005441682	560587630	/nfs/dbraw/zinc/58/76/30/560587630.db2.gz	ATODHDPKLIVRHF-IBGZPJMESA-N	0	1	408.435	4.920	50	5		HJBAMN
CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1	ZINC000009662419	571277691	/nfs/dbraw/zinc/27/76/91/571277691.db2.gz	ZZFMDGJQTYHDJW-SNVBAGLBSA-N	0	1	420.878	4.643	50	5		HJBAMN
CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000009958776	571291745	/nfs/dbraw/zinc/29/17/45/571291745.db2.gz	HXZCOQOIWODPNJ-UHFFFAOYSA-N	0	1	421.501	4.593	50	5		HJBAMN
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(F)cccc1Br	ZINC000004678537	558889796	/nfs/dbraw/zinc/88/97/96/558889796.db2.gz	JOELJGKPLDGQPI-UHFFFAOYSA-N	0	1	405.227	4.509	50	5		HJBAMN
CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000009958772	571291764	/nfs/dbraw/zinc/29/17/64/571291764.db2.gz	FIQMETOFQPAVSQ-UHFFFAOYSA-N	0	1	421.501	4.593	50	5		HJBAMN
CCOc1ccc2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1	ZINC000005184844	559290534	/nfs/dbraw/zinc/29/05/34/559290534.db2.gz	UMBFHYGQEKMXII-LLVKDONJSA-N	0	1	411.443	4.773	50	5		HJBAMN
CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037587779	569308190	/nfs/dbraw/zinc/30/81/90/569308190.db2.gz	ADXVVXKIUGNANB-UHFFFAOYSA-N	0	1	413.493	4.840	50	5		HJBAMN
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1NCc1ccccc1	ZINC000055211427	569393843	/nfs/dbraw/zinc/39/38/43/569393843.db2.gz	YSEAZYZDAPJYIX-UHFFFAOYSA-N	0	1	402.498	4.529	50	5		HJBAMN
CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1C(=O)CC(C)(C)CC1=N2	ZINC000102674474	560819567	/nfs/dbraw/zinc/81/95/67/560819567.db2.gz	PNWLOOBZUMCBMF-HNNXBMFYSA-N	0	1	419.894	4.869	50	5		HJBAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-]	ZINC000005062955	559239396	/nfs/dbraw/zinc/23/93/96/559239396.db2.gz	WMVPYOSUZDORDG-UHFFFAOYSA-N	0	1	400.481	4.855	50	5		HJBAMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1	ZINC000104243816	560850125	/nfs/dbraw/zinc/85/01/25/560850125.db2.gz	HNQINPHWWBLHRB-UHFFFAOYSA-N	0	1	417.559	4.571	50	5		HJBAMN
CC(C)(C)c1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2[nH]1	ZINC000012740986	568929041	/nfs/dbraw/zinc/92/90/41/568929041.db2.gz	CPSKENWJSRZIMC-UHFFFAOYSA-N	0	1	424.504	4.967	50	5		HJBAMN
CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	ZINC000032316011	520866549	/nfs/dbraw/zinc/86/65/49/520866549.db2.gz	WKDMMPHZJQRSCW-GOSISDBHSA-N	0	1	410.301	4.715	50	5		HJBAMN
O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000071889319	557294182	/nfs/dbraw/zinc/29/41/82/557294182.db2.gz	VQBFIDWHRNEARO-DEOSSOPVSA-N	0	1	421.541	4.892	50	5		HJBAMN
CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1	ZINC000010732128	558433199	/nfs/dbraw/zinc/43/31/99/558433199.db2.gz	UOUHATAZLBMRPG-JTQLQIEISA-N	0	1	420.878	4.643	50	5		HJBAMN
O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000071889318	557294306	/nfs/dbraw/zinc/29/43/06/557294306.db2.gz	VQBFIDWHRNEARO-XMMPIXPASA-N	0	1	421.541	4.892	50	5		HJBAMN
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2nc(C3CCC3)[nH]c2c1	ZINC000072058550	558443270	/nfs/dbraw/zinc/44/32/70/558443270.db2.gz	LBKPKENWDVJVIJ-UHFFFAOYSA-N	0	1	422.488	4.937	50	5		HJBAMN
COc1cc(CN2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)cc([N+](=O)[O-])c1O	ZINC000005032511	559230687	/nfs/dbraw/zinc/23/06/87/559230687.db2.gz	ACNROAKKCUQXHF-FQEVSTJZSA-N	0	1	421.497	4.855	50	5		HJBAMN
CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000003877771	568928079	/nfs/dbraw/zinc/92/80/79/568928079.db2.gz	DAODCLGNVUWRLG-UHFFFAOYSA-N	0	1	424.434	4.806	50	5		HJBAMN
CCc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000037587676	569308257	/nfs/dbraw/zinc/30/82/57/569308257.db2.gz	IVJIKUWVJWBXII-UHFFFAOYSA-N	0	1	409.530	4.811	50	5		HJBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NC(c3ccccc3)c3ccccc3)c2)CC1	ZINC000004687377	132282948	/nfs/dbraw/zinc/28/29/48/132282948.db2.gz	RHCKSABVOKGXBN-UHFFFAOYSA-N	0	1	402.498	4.548	50	5		HJBAMN
O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2c(ccc3ccccc32)o1	ZINC000054106009	569057579	/nfs/dbraw/zinc/05/75/79/569057579.db2.gz	OZNGWFRTVWMNNH-UHFFFAOYSA-N	0	1	404.897	4.922	50	5		HJBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1	ZINC000004555218	558721241	/nfs/dbraw/zinc/72/12/41/558721241.db2.gz	HRNDKIVQOUJNTC-MRXNPFEDSA-N	0	1	406.895	4.505	50	5		HJBAMN
Cc1nc(CN(C)C(=O)Nc2cccc3cnccc32)[nH]c1-c1cccc([N+](=O)[O-])c1	ZINC000095963763	568670400	/nfs/dbraw/zinc/67/04/00/568670400.db2.gz	XCZDRCHVRRXZNX-UHFFFAOYSA-N	0	1	416.441	4.505	50	5		HJBAMN
CC1(C)C([N+](=O)[O-])[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)[C@H]1[N+](=O)[O-]	ZINC000245328246	571224705	/nfs/dbraw/zinc/22/47/05/571224705.db2.gz	UPLODQWJFKBBKR-WNRNVDISSA-N	0	1	424.284	4.696	50	5		HJBAMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000033293814	559047300	/nfs/dbraw/zinc/04/73/00/559047300.db2.gz	AUQQDGVMLXXOBL-OVCLIPMQSA-N	0	1	420.830	4.593	50	5		HJBAMN
Cc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F	ZINC000037580740	569308083	/nfs/dbraw/zinc/30/80/83/569308083.db2.gz	NVTODPGTWIPJJO-UHFFFAOYSA-N	0	1	413.493	4.696	50	5		HJBAMN
CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1	ZINC000008928045	571160288	/nfs/dbraw/zinc/16/02/88/571160288.db2.gz	IRRMBPAWXGFCAY-IBGZPJMESA-N	0	1	424.482	4.723	50	5		HJBAMN
Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1	ZINC000004697636	558900974	/nfs/dbraw/zinc/90/09/74/558900974.db2.gz	JWSPOYWIADRWOW-FQEVSTJZSA-N	0	1	402.450	4.862	50	5		HJBAMN
CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	ZINC000032316008	520837393	/nfs/dbraw/zinc/83/73/93/520837393.db2.gz	WKDMMPHZJQRSCW-SFHVURJKSA-N	0	1	410.301	4.715	50	5		HJBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1	ZINC000002369885	569385869	/nfs/dbraw/zinc/38/58/69/569385869.db2.gz	YLMVBSNUYJAVAB-UHFFFAOYSA-N	0	1	411.464	4.672	50	5		HJBAMN
COc1cc(CN(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000023281837	559078796	/nfs/dbraw/zinc/07/87/96/559078796.db2.gz	WQXWZXDZTSROFN-UHFFFAOYSA-N	0	1	406.482	4.857	50	5		HJBAMN
CCSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CCCC1=O)N2	ZINC000102670375	560819561	/nfs/dbraw/zinc/81/95/61/560819561.db2.gz	YQBILMPFNBXHQI-OAHLLOKOSA-N	0	1	405.867	4.623	50	5		HJBAMN
O=C(c1ccccc1)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000012765393	568947809	/nfs/dbraw/zinc/94/78/09/568947809.db2.gz	MJBMLVGLRPUPQT-UHFFFAOYSA-N	0	1	402.435	4.762	50	5		HJBAMN
O=c1cc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc2oc(-c3ccccc3)cc(O)c1-2	ZINC000001799813	569053154	/nfs/dbraw/zinc/05/31/54/569053154.db2.gz	VFNGEUJYPQVTEW-UHFFFAOYSA-N	0	1	420.333	4.774	50	5		HJBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1	ZINC000007141335	569226231	/nfs/dbraw/zinc/22/62/31/569226231.db2.gz	AHMFUSINZIQNCR-UHFFFAOYSA-N	0	1	400.481	4.855	50	5		HJBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)ccc1Cl	ZINC000089872961	569267470	/nfs/dbraw/zinc/26/74/70/569267470.db2.gz	DNEQBBFZLZVBGM-UHFFFAOYSA-N	0	1	402.815	4.948	50	5		HJBAMN
CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1	ZINC000002616876	568785834	/nfs/dbraw/zinc/78/58/34/568785834.db2.gz	ZZFMDGJQTYHDJW-JTQLQIEISA-N	0	1	420.878	4.643	50	5		HJBAMN
Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)[nH]c2c1	ZINC000006420862	569048724	/nfs/dbraw/zinc/04/87/24/569048724.db2.gz	CNWONABEXCRJOA-UHFFFAOYSA-N	0	1	410.377	4.529	50	5		HJBAMN
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000002165229	569291922	/nfs/dbraw/zinc/29/19/22/569291922.db2.gz	AUQQDGVMLXXOBL-NVNXTCNLSA-N	0	1	420.830	4.593	50	5		HJBAMN
Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	ZINC000004474676	558599767	/nfs/dbraw/zinc/59/97/67/558599767.db2.gz	PSPYSXQQDKBXKX-FQEVSTJZSA-N	0	1	402.450	4.862	50	5	aggregator	HJBAMN
CCOc1ccc2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1	ZINC000005184840	559290585	/nfs/dbraw/zinc/29/05/85/559290585.db2.gz	UMBFHYGQEKMXII-NSHDSACASA-N	0	1	411.443	4.773	50	5		HJBAMN
Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(Br)s1	ZINC000409415526	560723558	/nfs/dbraw/zinc/72/35/58/560723558.db2.gz	NSLSYQXABWCCLO-UHFFFAOYSA-N	0	1	416.256	4.770	50	5		HJBAMN
O=c1oc2cc(OCc3ccccc3)ccc2cc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000020615288	568637993	/nfs/dbraw/zinc/63/79/93/568637993.db2.gz	FLUMSXIYPAOGFW-UHFFFAOYSA-N	0	1	413.389	4.824	50	5		HJBAMN
Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1	ZINC000005796931	568734262	/nfs/dbraw/zinc/73/42/62/568734262.db2.gz	SSNRRZGECVIQRH-IBGZPJMESA-N	0	1	408.435	4.920	50	5		HJBAMN
CCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009958767	571291818	/nfs/dbraw/zinc/29/18/18/571291818.db2.gz	YKPVQDHLUKSAAL-UHFFFAOYSA-N	0	1	421.501	4.593	50	5		HJBAMN