smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1	ZINC000453602536	822391508	/nfs/dbraw/zinc/39/15/08/822391508.db2.gz	WQFYRMUYYBDMBC-UHFFFAOYSA-N	2	0	377.872	4.472	20	5		GIBDRP
COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000178651344	822399559	/nfs/dbraw/zinc/39/95/59/822399559.db2.gz	BKULCUATXJJJMP-KRWDZBQOSA-N	2	0	383.492	4.166	20	5		GIBDRP
C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000180441635	822682643	/nfs/dbraw/zinc/68/26/43/822682643.db2.gz	NMISEDYFUOARAJ-PIGHNIFASA-N	2	0	384.436	4.061	20	5		GIBDRP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000124612451	823611055	/nfs/dbraw/zinc/61/10/55/823611055.db2.gz	HHBSLPWRMJHOJH-CEXWTWQISA-N	2	0	397.519	4.363	20	5		GIBDRP
C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000414936648	824051844	/nfs/dbraw/zinc/05/18/44/824051844.db2.gz	GYMCLZGPHXGKBE-CXAGYDPISA-N	2	0	375.856	4.128	20	5		GIBDRP
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000180276311	822652891	/nfs/dbraw/zinc/65/28/91/822652891.db2.gz	ZHUBWTASPHVIFT-SFHVURJKSA-N	2	0	396.535	4.284	20	5		GIBDRP
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1	ZINC000414839329	824040867	/nfs/dbraw/zinc/04/08/67/824040867.db2.gz	VZQSNDYFWPMZSN-OAHLLOKOSA-N	2	0	375.856	4.130	20	5		GIBDRP
C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1	ZINC000571933105	823256369	/nfs/dbraw/zinc/25/63/69/823256369.db2.gz	VYRBXEJZKVAEND-QHCPKHFHSA-N	2	0	395.503	4.235	20	5		GIBDRP
Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000180276293	822652881	/nfs/dbraw/zinc/65/28/81/822652881.db2.gz	ZHUBWTASPHVIFT-GOSISDBHSA-N	2	0	396.535	4.284	20	5		GIBDRP
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2	ZINC000569588433	822942770	/nfs/dbraw/zinc/94/27/70/822942770.db2.gz	YPQTUBMXIRIEQC-XXBNENTESA-N	2	0	379.504	4.126	20	5		GIBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1	ZINC000183544311	822492641	/nfs/dbraw/zinc/49/26/41/822492641.db2.gz	OOUSGCFAAQETLY-UHFFFAOYSA-N	2	0	397.519	4.064	20	5		GIBDRP
C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	ZINC000180441651	822682822	/nfs/dbraw/zinc/68/28/22/822682822.db2.gz	NMISEDYFUOARAJ-ZOSBBBERSA-N	2	0	384.436	4.061	20	5		GIBDRP
CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244004	822165081	/nfs/dbraw/zinc/16/50/81/822165081.db2.gz	YZMGMVUZDTXKEN-PKTZIBPZSA-N	2	0	397.519	4.183	20	5		GIBDRP
COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-]	ZINC000174450541	822791361	/nfs/dbraw/zinc/79/13/61/822791361.db2.gz	IWYXJDYPSDWIAD-UHFFFAOYSA-N	2	0	395.459	4.118	20	5		GIBDRP
C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185686610	822810124	/nfs/dbraw/zinc/81/01/24/822810124.db2.gz	JIHKDAFXMAGPNO-AEFFLSMTSA-N	2	0	398.507	4.035	20	5		GIBDRP
C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185686574	822810177	/nfs/dbraw/zinc/81/01/77/822810177.db2.gz	JIHKDAFXMAGPNO-SJLPKXTDSA-N	2	0	398.507	4.035	20	5		GIBDRP
C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414943916	824052792	/nfs/dbraw/zinc/05/27/92/824052792.db2.gz	FXASKVMNPBCQKZ-CZUORRHYSA-N	2	0	375.856	4.271	20	5		GIBDRP
C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185686592	822810200	/nfs/dbraw/zinc/81/02/00/822810200.db2.gz	JIHKDAFXMAGPNO-WMZOPIPTSA-N	2	0	398.507	4.035	20	5		GIBDRP
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)CCC2	ZINC000569588428	822942801	/nfs/dbraw/zinc/94/28/01/822942801.db2.gz	YPQTUBMXIRIEQC-AUSIDOKSSA-N	2	0	379.504	4.126	20	5		GIBDRP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000124613105	823611093	/nfs/dbraw/zinc/61/10/93/823611093.db2.gz	HHBSLPWRMJHOJH-QRVBRYPASA-N	2	0	397.519	4.363	20	5		GIBDRP
C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000178643570	822398939	/nfs/dbraw/zinc/39/89/39/822398939.db2.gz	YLCWXQKUCMIUHC-KSZLIROESA-N	2	0	383.492	4.055	20	5		GIBDRP
O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1	ZINC000414839328	824040858	/nfs/dbraw/zinc/04/08/58/824040858.db2.gz	VZQSNDYFWPMZSN-HNNXBMFYSA-N	2	0	375.856	4.130	20	5		GIBDRP
COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000178651361	822399687	/nfs/dbraw/zinc/39/96/87/822399687.db2.gz	BKULCUATXJJJMP-QGZVFWFLSA-N	2	0	383.492	4.166	20	5		GIBDRP
O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1Oc1ccccc1Cl	ZINC000414828685	824040426	/nfs/dbraw/zinc/04/04/26/824040426.db2.gz	JHGUZASCILHLEO-AWEZNQCLSA-N	2	0	375.856	4.130	20	5		GIBDRP
CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244019	822164992	/nfs/dbraw/zinc/16/49/92/822164992.db2.gz	YZMGMVUZDTXKEN-DHIUTWEWSA-N	2	0	397.519	4.183	20	5		GIBDRP
C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000185686557	822810191	/nfs/dbraw/zinc/81/01/91/822810191.db2.gz	JIHKDAFXMAGPNO-FUHWJXTLSA-N	2	0	398.507	4.035	20	5		GIBDRP
C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000414936654	824051729	/nfs/dbraw/zinc/05/17/29/824051729.db2.gz	GYMCLZGPHXGKBE-DYVFJYSZSA-N	2	0	375.856	4.128	20	5		GIBDRP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3c4ccccc4cc4ccccc43)cn2)CC1	ZINC000030660592	820659772	/nfs/dbraw/zinc/65/97/72/820659772.db2.gz	TXNQFWCZUQEYQC-UHFFFAOYSA-N	2	0	396.538	4.430	20	5		GIBDRP
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000124603379	823610403	/nfs/dbraw/zinc/61/04/03/823610403.db2.gz	NFOCBOALZGBERU-OTWHNJEPSA-N	2	0	397.519	4.363	20	5		GIBDRP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000124612660	823611080	/nfs/dbraw/zinc/61/10/80/823611080.db2.gz	HHBSLPWRMJHOJH-OTWHNJEPSA-N	2	0	397.519	4.363	20	5		GIBDRP
CCC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000414311426	823955889	/nfs/dbraw/zinc/95/58/89/823955889.db2.gz	UWVMQXHXJYCTFR-JOCHJYFZSA-N	2	0	397.519	4.053	20	5		GIBDRP
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000124603172	823610446	/nfs/dbraw/zinc/61/04/46/823610446.db2.gz	NFOCBOALZGBERU-CEXWTWQISA-N	2	0	397.519	4.363	20	5		GIBDRP
C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414943914	824052773	/nfs/dbraw/zinc/05/27/73/824052773.db2.gz	FXASKVMNPBCQKZ-CJNGLKHVSA-N	2	0	375.856	4.271	20	5		GIBDRP
C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414943919	824052888	/nfs/dbraw/zinc/05/28/88/824052888.db2.gz	FXASKVMNPBCQKZ-XJKSGUPXSA-N	2	0	375.856	4.271	20	5		GIBDRP
C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414943910	824052686	/nfs/dbraw/zinc/05/26/86/824052686.db2.gz	FXASKVMNPBCQKZ-BBRMVZONSA-N	2	0	375.856	4.271	20	5		GIBDRP
C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000178643599	822398896	/nfs/dbraw/zinc/39/88/96/822398896.db2.gz	YLCWXQKUCMIUHC-KURKYZTESA-N	2	0	383.492	4.055	20	5		GIBDRP
Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-]	ZINC000174450673	822791492	/nfs/dbraw/zinc/79/14/92/822791492.db2.gz	LIKQXNIHBVIEHG-UHFFFAOYSA-N	2	0	379.460	4.418	20	5		GIBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1	ZINC000183482289	822482854	/nfs/dbraw/zinc/48/28/54/822482854.db2.gz	NKZWKHOLOZQMHN-UHFFFAOYSA-N	2	0	379.460	4.418	20	5		GIBDRP
Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000124613364	823611042	/nfs/dbraw/zinc/61/10/42/823611042.db2.gz	HAQBGGYTBZSWFP-ZIFCJYIRSA-N	2	0	397.519	4.363	20	5		GIBDRP
O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)co2)cc1	ZINC000121008156	823102030	/nfs/dbraw/zinc/10/20/30/823102030.db2.gz	QXOJAMWHYARFSB-UHFFFAOYSA-N	2	0	398.507	4.338	20	5		GIBDRP
C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1	ZINC000571933104	823256398	/nfs/dbraw/zinc/25/63/98/823256398.db2.gz	VYRBXEJZKVAEND-HSZRJFAPSA-N	2	0	395.503	4.235	20	5		GIBDRP
[NH3+]CC1CC[NH+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1	ZINC000573249212	823470528	/nfs/dbraw/zinc/47/05/28/823470528.db2.gz	ZUQCAIGPCWZGPX-UHFFFAOYSA-N	2	0	375.856	4.211	20	5		GIBDRP
Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000124613538	823611148	/nfs/dbraw/zinc/61/11/48/823611148.db2.gz	HAQBGGYTBZSWFP-SCTDSRPQSA-N	2	0	397.519	4.363	20	5		GIBDRP
Cc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000176985058	823342605	/nfs/dbraw/zinc/34/26/05/823342605.db2.gz	VQZSJPVLDDBIEZ-UHFFFAOYSA-N	2	0	397.519	4.064	20	5		GIBDRP
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000124603900	823610462	/nfs/dbraw/zinc/61/04/62/823610462.db2.gz	NFOCBOALZGBERU-QRVBRYPASA-N	2	0	397.519	4.363	20	5		GIBDRP
CCC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000414311427	823955974	/nfs/dbraw/zinc/95/59/74/823955974.db2.gz	UWVMQXHXJYCTFR-QFIPXVFZSA-N	2	0	397.519	4.053	20	5		GIBDRP
O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1Oc1ccccc1Cl	ZINC000414828686	824040220	/nfs/dbraw/zinc/04/02/20/824040220.db2.gz	JHGUZASCILHLEO-CQSZACIVSA-N	2	0	375.856	4.130	20	5		GIBDRP
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2	ZINC000569588430	822942785	/nfs/dbraw/zinc/94/27/85/822942785.db2.gz	YPQTUBMXIRIEQC-CVDCTZTESA-N	2	0	379.504	4.126	20	5		GIBDRP
CC1([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC[NH2+]CC1	ZINC000414947238	824053335	/nfs/dbraw/zinc/05/33/35/824053335.db2.gz	VUOFDNWIJDEQNC-UHFFFAOYSA-N	2	0	375.856	4.272	20	5		GIBDRP
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)CCC2	ZINC000569588432	822942676	/nfs/dbraw/zinc/94/26/76/822942676.db2.gz	YPQTUBMXIRIEQC-WMZHIEFXSA-N	2	0	379.504	4.126	20	5		GIBDRP
Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000124613843	823611249	/nfs/dbraw/zinc/61/12/49/823611249.db2.gz	HAQBGGYTBZSWFP-LMMKCTJWSA-N	2	0	397.519	4.363	20	5		GIBDRP
C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000414936665	824051745	/nfs/dbraw/zinc/05/17/45/824051745.db2.gz	GYMCLZGPHXGKBE-GUYCJALGSA-N	2	0	375.856	4.128	20	5		GIBDRP
C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000414936670	824051801	/nfs/dbraw/zinc/05/18/01/824051801.db2.gz	GYMCLZGPHXGKBE-SUMWQHHRSA-N	2	0	375.856	4.128	20	5		GIBDRP