smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	ZINC000573360420	823484323	/nfs/dbraw/zinc/48/43/23/823484323.db2.gz	LONAUTFMQAVDAJ-HNNXBMFYSA-N	2	1	389.459	4.464	20	5		GIBDMP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1	ZINC000573360422	823484367	/nfs/dbraw/zinc/48/43/67/823484367.db2.gz	LONAUTFMQAVDAJ-OAHLLOKOSA-N	2	1	389.459	4.464	20	5		GIBDMP
O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1	ZINC000177968797	822261915	/nfs/dbraw/zinc/26/19/15/822261915.db2.gz	RCYFCACMYRDYSC-HSZRJFAPSA-N	2	1	393.531	4.213	20	5		GIBDMP
C[N@@H+](CCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1	ZINC000453602536	822391512	/nfs/dbraw/zinc/39/15/12/822391512.db2.gz	WQFYRMUYYBDMBC-UHFFFAOYSA-N	2	1	377.872	4.472	20	5		GIBDMP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000124612451	823611060	/nfs/dbraw/zinc/61/10/60/823611060.db2.gz	HHBSLPWRMJHOJH-CEXWTWQISA-N	2	1	397.519	4.363	20	5		GIBDMP
CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1	ZINC000178655241	822400051	/nfs/dbraw/zinc/40/00/51/822400051.db2.gz	NWPFLMKGTZCIHH-OAHLLOKOSA-N	2	1	388.537	4.177	20	5		GIBDMP
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2	ZINC000569588433	822942772	/nfs/dbraw/zinc/94/27/72/822942772.db2.gz	YPQTUBMXIRIEQC-XXBNENTESA-N	2	1	379.504	4.126	20	5		GIBDMP
C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000574321856	823702550	/nfs/dbraw/zinc/70/25/50/823702550.db2.gz	HEACYFHZTUQRFE-JWTNVVGKSA-N	2	1	385.439	4.241	20	5		GIBDMP
C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000574321856	823702554	/nfs/dbraw/zinc/70/25/54/823702554.db2.gz	HEACYFHZTUQRFE-JWTNVVGKSA-N	2	1	385.439	4.241	20	5		GIBDMP
CC1([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]CC1	ZINC000414929993	824051438	/nfs/dbraw/zinc/05/14/38/824051438.db2.gz	AIBDXQGGWNDDEN-UHFFFAOYSA-N	2	1	375.856	4.272	20	5		GIBDMP
CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244004	822165090	/nfs/dbraw/zinc/16/50/90/822165090.db2.gz	YZMGMVUZDTXKEN-PKTZIBPZSA-N	2	1	397.519	4.183	20	5		GIBDMP
COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-]	ZINC000174450541	822791364	/nfs/dbraw/zinc/79/13/64/822791364.db2.gz	IWYXJDYPSDWIAD-UHFFFAOYSA-N	2	1	395.459	4.118	20	5		GIBDMP
C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185686610	822810128	/nfs/dbraw/zinc/81/01/28/822810128.db2.gz	JIHKDAFXMAGPNO-AEFFLSMTSA-N	2	1	398.507	4.035	20	5		GIBDMP
C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185686574	822810180	/nfs/dbraw/zinc/81/01/80/822810180.db2.gz	JIHKDAFXMAGPNO-SJLPKXTDSA-N	2	1	398.507	4.035	20	5		GIBDMP
C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000185686592	822810202	/nfs/dbraw/zinc/81/02/02/822810202.db2.gz	JIHKDAFXMAGPNO-WMZOPIPTSA-N	2	1	398.507	4.035	20	5		GIBDMP
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2	ZINC000569588428	822942803	/nfs/dbraw/zinc/94/28/03/822942803.db2.gz	YPQTUBMXIRIEQC-AUSIDOKSSA-N	2	1	379.504	4.126	20	5		GIBDMP
CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cs1	ZINC000178655224	822400082	/nfs/dbraw/zinc/40/00/82/822400082.db2.gz	NWPFLMKGTZCIHH-HNNXBMFYSA-N	2	1	388.537	4.177	20	5		GIBDMP
CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-]	ZINC000183189505	822438479	/nfs/dbraw/zinc/43/84/79/822438479.db2.gz	JPTFVRMFJSHUAY-XYJFISCASA-N	2	1	375.513	4.297	20	5		GIBDMP
CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-]	ZINC000183189505	822438483	/nfs/dbraw/zinc/43/84/83/822438483.db2.gz	JPTFVRMFJSHUAY-XYJFISCASA-N	2	1	375.513	4.297	20	5		GIBDMP
C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	ZINC000569722919	822959107	/nfs/dbraw/zinc/95/91/07/822959107.db2.gz	HMNISRNCKCFQCD-OAHLLOKOSA-N	2	1	375.856	4.082	20	5		GIBDMP
C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	ZINC000569722919	822959108	/nfs/dbraw/zinc/95/91/08/822959108.db2.gz	HMNISRNCKCFQCD-OAHLLOKOSA-N	2	1	375.856	4.082	20	5		GIBDMP
C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000414937611	824052184	/nfs/dbraw/zinc/05/21/84/824052184.db2.gz	HWEOIIKKTAQMAH-CZUORRHYSA-N	2	1	375.856	4.128	20	5		GIBDMP
C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000178643570	822398944	/nfs/dbraw/zinc/39/89/44/822398944.db2.gz	YLCWXQKUCMIUHC-KSZLIROESA-N	2	1	383.492	4.055	20	5		GIBDMP
C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000414944230	824052933	/nfs/dbraw/zinc/05/29/33/824052933.db2.gz	GJDDOMIHDANGBX-HIFRSBDPSA-N	2	1	375.856	4.271	20	5		GIBDMP
CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244019	822164998	/nfs/dbraw/zinc/16/49/98/822164998.db2.gz	YZMGMVUZDTXKEN-DHIUTWEWSA-N	2	1	397.519	4.183	20	5		GIBDMP
C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000185686557	822810194	/nfs/dbraw/zinc/81/01/94/822810194.db2.gz	JIHKDAFXMAGPNO-FUHWJXTLSA-N	2	1	398.507	4.035	20	5		GIBDMP
O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1	ZINC000177968781	822262127	/nfs/dbraw/zinc/26/21/27/822262127.db2.gz	RCYFCACMYRDYSC-QHCPKHFHSA-N	2	1	393.531	4.213	20	5		GIBDMP
Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000124603379	823610406	/nfs/dbraw/zinc/61/04/06/823610406.db2.gz	NFOCBOALZGBERU-OTWHNJEPSA-N	2	1	397.519	4.363	20	5		GIBDMP
C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000414944228	824052703	/nfs/dbraw/zinc/05/27/03/824052703.db2.gz	GJDDOMIHDANGBX-DZGCQCFKSA-N	2	1	375.856	4.271	20	5		GIBDMP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000124612660	823611083	/nfs/dbraw/zinc/61/10/83/823611083.db2.gz	HHBSLPWRMJHOJH-OTWHNJEPSA-N	2	1	397.519	4.363	20	5		GIBDMP
Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000124603172	823610451	/nfs/dbraw/zinc/61/04/51/823610451.db2.gz	NFOCBOALZGBERU-CEXWTWQISA-N	2	1	397.519	4.363	20	5		GIBDMP
C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000414937614	824052445	/nfs/dbraw/zinc/05/24/45/824052445.db2.gz	HWEOIIKKTAQMAH-XJKSGUPXSA-N	2	1	375.856	4.128	20	5		GIBDMP
Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000409657327	823275450	/nfs/dbraw/zinc/27/54/50/823275450.db2.gz	OIWRQMJGNHWVKL-MRXNPFEDSA-N	2	1	391.475	4.368	20	5		GIBDMP
Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000409657326	823275559	/nfs/dbraw/zinc/27/55/59/823275559.db2.gz	OIWRQMJGNHWVKL-INIZCTEOSA-N	2	1	391.475	4.368	20	5		GIBDMP
C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000414937607	824052015	/nfs/dbraw/zinc/05/20/15/824052015.db2.gz	HWEOIIKKTAQMAH-BBRMVZONSA-N	2	1	375.856	4.128	20	5		GIBDMP
C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000414944234	824052722	/nfs/dbraw/zinc/05/27/22/824052722.db2.gz	GJDDOMIHDANGBX-ZFWWWQNUSA-N	2	1	375.856	4.271	20	5		GIBDMP
O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl	ZINC000414831119	824040509	/nfs/dbraw/zinc/04/05/09/824040509.db2.gz	POGXGXVGBFKXMG-HNNXBMFYSA-N	2	1	375.856	4.130	20	5		GIBDMP
Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-]	ZINC000174450673	822791493	/nfs/dbraw/zinc/79/14/93/822791493.db2.gz	LIKQXNIHBVIEHG-UHFFFAOYSA-N	2	1	379.460	4.418	20	5		GIBDMP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1	ZINC000183482289	822482855	/nfs/dbraw/zinc/48/28/55/822482855.db2.gz	NKZWKHOLOZQMHN-UHFFFAOYSA-N	2	1	379.460	4.418	20	5		GIBDMP
C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	ZINC000569722918	822959130	/nfs/dbraw/zinc/95/91/30/822959130.db2.gz	HMNISRNCKCFQCD-HNNXBMFYSA-N	2	1	375.856	4.082	20	5		GIBDMP
C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1	ZINC000569722918	822959132	/nfs/dbraw/zinc/95/91/32/822959132.db2.gz	HMNISRNCKCFQCD-HNNXBMFYSA-N	2	1	375.856	4.082	20	5		GIBDMP
Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000124613364	823611043	/nfs/dbraw/zinc/61/10/43/823611043.db2.gz	HAQBGGYTBZSWFP-ZIFCJYIRSA-N	2	1	397.519	4.363	20	5		GIBDMP
C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000414944232	824052671	/nfs/dbraw/zinc/05/26/71/824052671.db2.gz	GJDDOMIHDANGBX-UKRRQHHQSA-N	2	1	375.856	4.271	20	5		GIBDMP
C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177041515	823357508	/nfs/dbraw/zinc/35/75/08/823357508.db2.gz	FTNJTQHGKMXJBK-UHFFFAOYSA-N	2	1	394.475	4.080	20	5		GIBDMP
C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177041515	823357514	/nfs/dbraw/zinc/35/75/14/823357514.db2.gz	FTNJTQHGKMXJBK-UHFFFAOYSA-N	2	1	394.475	4.080	20	5		GIBDMP
Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000124613538	823611150	/nfs/dbraw/zinc/61/11/50/823611150.db2.gz	HAQBGGYTBZSWFP-SCTDSRPQSA-N	2	1	397.519	4.363	20	5		GIBDMP
CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-]	ZINC000183189546	822438371	/nfs/dbraw/zinc/43/83/71/822438371.db2.gz	JPTFVRMFJSHUAY-LZLYRXPVSA-N	2	1	375.513	4.297	20	5		GIBDMP
CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-]	ZINC000183189546	822438373	/nfs/dbraw/zinc/43/83/73/822438373.db2.gz	JPTFVRMFJSHUAY-LZLYRXPVSA-N	2	1	375.513	4.297	20	5		GIBDMP
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2	ZINC000569588430	822942787	/nfs/dbraw/zinc/94/27/87/822942787.db2.gz	YPQTUBMXIRIEQC-CVDCTZTESA-N	2	1	379.504	4.126	20	5		GIBDMP
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CCC2	ZINC000569588432	822942680	/nfs/dbraw/zinc/94/26/80/822942680.db2.gz	YPQTUBMXIRIEQC-WMZHIEFXSA-N	2	1	379.504	4.126	20	5		GIBDMP
C[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1	ZINC000121195692	823136210	/nfs/dbraw/zinc/13/62/10/823136210.db2.gz	VMFXFSRQRRUUGA-UHFFFAOYSA-N	2	1	375.856	4.224	20	5		GIBDMP
O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1Oc1ccccc1Cl	ZINC000414831122	824040415	/nfs/dbraw/zinc/04/04/15/824040415.db2.gz	POGXGXVGBFKXMG-OAHLLOKOSA-N	2	1	375.856	4.130	20	5		GIBDMP
C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000414937609	824052467	/nfs/dbraw/zinc/05/24/67/824052467.db2.gz	HWEOIIKKTAQMAH-CJNGLKHVSA-N	2	1	375.856	4.128	20	5		GIBDMP