smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000051575891 392071806 /nfs/dbraw/zinc/07/18/06/392071806.db2.gz PVAGKYNXRYMLKR-UHFFFAOYSA-N 1 2 291.738 3.241 10 5 CGBELO O=[N+]([O-])c1ccc(-c2ccc3c(n2)[nH]c2cc[nH+]cc23)cn1 ZINC000584590549 346685848 /nfs/dbraw/zinc/68/58/48/346685848.db2.gz FRCQINQYHQKRNK-UHFFFAOYSA-N 1 2 291.270 3.081 10 5 CGBELO CCn1cc[nH+]c1CSCc1ccc([N+](=O)[O-])cc1 ZINC000175312992 373449491 /nfs/dbraw/zinc/44/94/91/373449491.db2.gz MOZPMYMSXGKAGD-UHFFFAOYSA-N 1 2 277.349 3.245 10 5 CGBELO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000180720466 392711989 /nfs/dbraw/zinc/71/19/89/392711989.db2.gz ACFOKKVAIVTZHP-BMIGLBTASA-N 1 2 288.351 3.428 10 5 CGBELO Cc1cc(N2CCCCC2)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000019816159 368768675 /nfs/dbraw/zinc/76/86/75/368768675.db2.gz KEWUMZWYOOCFPE-UHFFFAOYSA-N 1 2 271.320 3.442 10 5 CGBELO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccco1 ZINC000050443285 527333767 /nfs/dbraw/zinc/33/37/67/527333767.db2.gz UMMCFFZHKKXJJU-UHFFFAOYSA-N 1 2 266.684 3.131 10 5 CGBELO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000133238759 636886915 /nfs/dbraw/zinc/88/69/15/636886915.db2.gz OKTFVTUSHKLAJN-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000133238759 636886920 /nfs/dbraw/zinc/88/69/20/636886920.db2.gz OKTFVTUSHKLAJN-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272154089 378573898 /nfs/dbraw/zinc/57/38/98/378573898.db2.gz MPVFGHBEDXAQKW-SNVBAGLBSA-N 1 2 278.283 3.486 10 5 CGBELO Cc1c(NCc2[nH+]ccn2C(C)C)cccc1[N+](=O)[O-] ZINC000123654044 187103239 /nfs/dbraw/zinc/10/32/39/187103239.db2.gz NEHRIQJJVJBHGS-UHFFFAOYSA-N 1 2 274.324 3.293 10 5 CGBELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000230641980 376522680 /nfs/dbraw/zinc/52/26/80/376522680.db2.gz YXIZWFPEHVUACO-SECBINFHSA-N 1 2 295.726 3.395 10 5 CGBELO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739298 172393212 /nfs/dbraw/zinc/39/32/12/172393212.db2.gz ASUZATCDYAMZAY-SECBINFHSA-N 1 2 264.256 3.178 10 5 CGBELO O=[N+]([O-])c1ccc(/C=C/c2cn3ccccc3[nH+]2)cc1 ZINC000027231890 368868932 /nfs/dbraw/zinc/86/89/32/368868932.db2.gz XRFBTUZBMGMNJQ-QPJJXVBHSA-N 1 2 265.272 3.413 10 5 CGBELO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000272154087 378574024 /nfs/dbraw/zinc/57/40/24/378574024.db2.gz MPVFGHBEDXAQKW-JTQLQIEISA-N 1 2 278.283 3.486 10 5 CGBELO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000035739297 172393583 /nfs/dbraw/zinc/39/35/83/172393583.db2.gz ASUZATCDYAMZAY-VIFPVBQESA-N 1 2 264.256 3.178 10 5 CGBELO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000182130240 374223060 /nfs/dbraw/zinc/22/30/60/374223060.db2.gz MAVYZFYNGBASNW-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000182130240 374223069 /nfs/dbraw/zinc/22/30/69/374223069.db2.gz MAVYZFYNGBASNW-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978899 165280598 /nfs/dbraw/zinc/28/05/98/165280598.db2.gz TWCCMBNCWHRKII-GOEBONIOSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978899 165280600 /nfs/dbraw/zinc/28/06/00/165280600.db2.gz TWCCMBNCWHRKII-GOEBONIOSA-N 1 2 290.363 3.047 10 5 CGBELO CCc1[nH+]c(C)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000575601613 393201748 /nfs/dbraw/zinc/20/17/48/393201748.db2.gz KAAGREREPMRUHH-UHFFFAOYSA-N 1 2 259.265 3.048 10 5 CGBELO CNc1[nH+]cccc1CSc1ccccc1[N+](=O)[O-] ZINC000052756320 522711171 /nfs/dbraw/zinc/71/11/71/522711171.db2.gz OUBPJFANFLDXAG-UHFFFAOYSA-N 1 2 275.333 3.324 10 5 CGBELO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000134763395 637036942 /nfs/dbraw/zinc/03/69/42/637036942.db2.gz KCLBEBCEEZUVPC-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000134763395 637036950 /nfs/dbraw/zinc/03/69/50/637036950.db2.gz KCLBEBCEEZUVPC-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO Cc1ccc2[nH+]c(-c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000032265731 281149098 /nfs/dbraw/zinc/14/90/98/281149098.db2.gz SDGDKTJDVJBHFI-UHFFFAOYSA-N 1 2 253.261 3.218 10 5 CGBELO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000180720425 392711667 /nfs/dbraw/zinc/71/16/67/392711667.db2.gz ACFOKKVAIVTZHP-BONVTDFDSA-N 1 2 288.351 3.428 10 5 CGBELO CC(C)n1cc[nH+]c1CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000123630094 187101820 /nfs/dbraw/zinc/10/18/20/187101820.db2.gz LOBDFJYASKEYMC-UHFFFAOYSA-N 1 2 278.287 3.123 10 5 CGBELO Cc1cc(NC2CC=CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301657108 201118459 /nfs/dbraw/zinc/11/84/59/201118459.db2.gz SGDCLXMWAGAGIL-UHFFFAOYSA-N 1 2 296.330 3.491 10 5 CGBELO O=[N+]([O-])c1ccc(-c2c[nH+]cn2-c2ccccc2)cc1 ZINC000005729112 170134143 /nfs/dbraw/zinc/13/41/43/170134143.db2.gz ZSJKEZJWFBXQDZ-UHFFFAOYSA-N 1 2 265.272 3.448 10 5 CGBELO Cc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000038097734 174112139 /nfs/dbraw/zinc/11/21/39/174112139.db2.gz DWJYBFCXLWZVBL-JTQLQIEISA-N 1 2 278.283 3.486 10 5 CGBELO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000116277409 267136012 /nfs/dbraw/zinc/13/60/12/267136012.db2.gz CUFKIWUJUNWSPP-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000116277409 267136015 /nfs/dbraw/zinc/13/60/15/267136015.db2.gz CUFKIWUJUNWSPP-VIFPVBQESA-N 1 2 286.784 3.186 10 5 CGBELO Cc1cn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC000202228080 346280623 /nfs/dbraw/zinc/28/06/23/346280623.db2.gz AVXYEKFLGARSMO-UHFFFAOYSA-N 1 2 271.198 3.108 10 5 CGBELO Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545303 131086503 /nfs/dbraw/zinc/08/65/03/131086503.db2.gz TWCCMBNCWHRKII-ZBFHGGJFSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545303 131086505 /nfs/dbraw/zinc/08/65/05/131086505.db2.gz TWCCMBNCWHRKII-ZBFHGGJFSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000037562815 369089345 /nfs/dbraw/zinc/08/93/45/369089345.db2.gz DXVQYSVNQAARAQ-SECBINFHSA-N 1 2 266.322 3.409 10 5 CGBELO CCn1cc[nH+]c1CNc1cc([N+](=O)[O-])c(C)cc1C ZINC000123656097 392430007 /nfs/dbraw/zinc/43/00/07/392430007.db2.gz AOYOJHMCYWSSJZ-UHFFFAOYSA-N 1 2 274.324 3.040 10 5 CGBELO O=[N+]([O-])c1ccc(-n2c[nH+]cc2-c2ccccc2)cc1 ZINC000039213899 174166068 /nfs/dbraw/zinc/16/60/68/174166068.db2.gz GWXYONHRNZUHBG-UHFFFAOYSA-N 1 2 265.272 3.448 10 5 CGBELO O=[N+]([O-])c1ccc(/C=C\c2cn3ccccc3[nH+]2)cc1 ZINC000215237980 189692212 /nfs/dbraw/zinc/69/22/12/189692212.db2.gz XRFBTUZBMGMNJQ-DAXSKMNVSA-N 1 2 265.272 3.413 10 5 CGBELO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000038097733 174111716 /nfs/dbraw/zinc/11/17/16/174111716.db2.gz DWJYBFCXLWZVBL-SNVBAGLBSA-N 1 2 278.283 3.486 10 5 CGBELO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000182584447 392748085 /nfs/dbraw/zinc/74/80/85/392748085.db2.gz XIFOBUHSIMKCCT-SNVBAGLBSA-N 1 2 278.283 3.486 10 5 CGBELO CC(C)[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948198 570405752 /nfs/dbraw/zinc/40/57/52/570405752.db2.gz AGVCKYRIKRSOGL-UHFFFAOYSA-N 1 2 287.157 3.198 10 5 CGBELO CC(C)[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948198 570405754 /nfs/dbraw/zinc/40/57/54/570405754.db2.gz AGVCKYRIKRSOGL-UHFFFAOYSA-N 1 2 287.157 3.198 10 5 CGBELO Cc1ccc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC000182584467 392748210 /nfs/dbraw/zinc/74/82/10/392748210.db2.gz XIFOBUHSIMKCCT-JTQLQIEISA-N 1 2 278.283 3.486 10 5 CGBELO CSc1cccc([N+](=O)[O-])c1/C=C/[NH+]1CCCC1 ZINC000584651475 346704888 /nfs/dbraw/zinc/70/48/88/346704888.db2.gz XOJDZJINHYCSFO-JXMROGBWSA-N 1 2 264.350 3.383 10 5 CGBELO O=[N+]([O-])c1ccc(F)cc1NCCCNc1cccc[nH+]1 ZINC000302789620 373963524 /nfs/dbraw/zinc/96/35/24/373963524.db2.gz FGYCFQZEHWCRDQ-UHFFFAOYSA-N 1 2 290.298 3.043 10 5 CGBELO Cc1cc[nH+]cc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071413630 176159124 /nfs/dbraw/zinc/15/91/24/176159124.db2.gz MUAPNWBXNZORQR-NSHDSACASA-N 1 2 257.293 3.471 10 5 CGBELO CC(C)n1cc[nH+]c1CSc1ccc([N+](=O)[O-])cn1 ZINC000159647141 321837814 /nfs/dbraw/zinc/83/78/14/321837814.db2.gz RVKJWPXEWRGBSR-UHFFFAOYSA-N 1 2 278.337 3.060 10 5 CGBELO CCn1cc[nH+]c1CNc1c(C)ccc([N+](=O)[O-])c1C ZINC000124768185 536111273 /nfs/dbraw/zinc/11/12/73/536111273.db2.gz PVKALOGKNPEUMM-UHFFFAOYSA-N 1 2 274.324 3.040 10 5 CGBELO O=[N+]([O-])c1ccc(SC[NH+]2CCCCC2)cc1 ZINC000031637862 368916398 /nfs/dbraw/zinc/91/63/98/368916398.db2.gz OSMZENFXZOWNLP-UHFFFAOYSA-N 1 2 252.339 3.130 10 5 CGBELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000230641987 376523063 /nfs/dbraw/zinc/52/30/63/376523063.db2.gz YXIZWFPEHVUACO-VIFPVBQESA-N 1 2 295.726 3.395 10 5 CGBELO CCn1cc[nH+]c1CSc1ccc([N+](=O)[O-])cc1F ZINC000188057305 392797601 /nfs/dbraw/zinc/79/76/01/392797601.db2.gz DQPDBJMSFRYYLB-UHFFFAOYSA-N 1 2 281.312 3.243 10 5 CGBELO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545301 376848722 /nfs/dbraw/zinc/84/87/22/376848722.db2.gz TWCCMBNCWHRKII-GDBMZVCRSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000245545301 376848727 /nfs/dbraw/zinc/84/87/27/376848727.db2.gz TWCCMBNCWHRKII-GDBMZVCRSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc(CCNc2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC000302825546 373977275 /nfs/dbraw/zinc/97/72/75/373977275.db2.gz ZAYBGWXBIPYCIX-UHFFFAOYSA-N 1 2 275.283 3.092 10 5 CGBELO Cc1cc[nH+]cc1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071413631 176159391 /nfs/dbraw/zinc/15/93/91/176159391.db2.gz MUAPNWBXNZORQR-LLVKDONJSA-N 1 2 257.293 3.471 10 5 CGBELO O=[N+]([O-])c1cccc(-c2cn3cc(F)ccc3[nH+]2)c1 ZINC000071570916 345403346 /nfs/dbraw/zinc/40/33/46/345403346.db2.gz HLIWVQQWXBNJDZ-UHFFFAOYSA-N 1 2 257.224 3.049 10 5 CGBELO CC[C@@H]([NH2+]Cc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000044692640 175234048 /nfs/dbraw/zinc/23/40/48/175234048.db2.gz BECOGAOBMHMHRQ-CQSZACIVSA-N 1 2 275.308 3.132 10 5 CGBELO CNc1[nH+]cccc1CSc1ccc([N+](=O)[O-])cc1 ZINC000052756335 522711798 /nfs/dbraw/zinc/71/17/98/522711798.db2.gz JSRZKQZMIRNBQI-UHFFFAOYSA-N 1 2 275.333 3.324 10 5 CGBELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000227556158 138501401 /nfs/dbraw/zinc/50/14/01/138501401.db2.gz IFDKDWIFJOXGHU-LLVKDONJSA-N 1 2 275.308 3.050 10 5 CGBELO Cc1cccn2cc(-c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000068586025 369744825 /nfs/dbraw/zinc/74/48/25/369744825.db2.gz DSGYGAIWLGBHEG-UHFFFAOYSA-N 1 2 253.261 3.218 10 5 CGBELO Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978898 165279387 /nfs/dbraw/zinc/27/93/87/165279387.db2.gz TWCCMBNCWHRKII-HOCLYGCPSA-N 1 2 290.363 3.047 10 5 CGBELO Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091978898 165279390 /nfs/dbraw/zinc/27/93/90/165279390.db2.gz TWCCMBNCWHRKII-HOCLYGCPSA-N 1 2 290.363 3.047 10 5 CGBELO Nc1ccc(SCc2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC000035308307 172121725 /nfs/dbraw/zinc/12/17/25/172121725.db2.gz LCAXQVOJGMSAHE-UHFFFAOYSA-N 1 2 279.296 3.003 10 5 CGBELO CNc1ccc(CSc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000050838144 522612972 /nfs/dbraw/zinc/61/29/72/522612972.db2.gz QXAKDMFPVCHAPK-UHFFFAOYSA-N 1 2 275.333 3.324 10 5 CGBELO c1ccc2c(c1)ccc1c2cc[nH+]c1N1CCOCC1 ZINC000013797065 368667670 /nfs/dbraw/zinc/66/76/70/368667670.db2.gz LWEHXNPEXMDIRY-UHFFFAOYSA-N 1 2 264.328 3.225 10 5 CGBELO Cc1cnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000230645281 376522942 /nfs/dbraw/zinc/52/29/42/376522942.db2.gz VWVNALQDHAUFMS-NSHDSACASA-N 1 2 275.308 3.050 10 5 CGBELO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000180720445 392711257 /nfs/dbraw/zinc/71/12/57/392711257.db2.gz ACFOKKVAIVTZHP-ZUZCIYMTSA-N 1 2 288.351 3.428 10 5 CGBELO Cc1cc(Oc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000498050746 375618970 /nfs/dbraw/zinc/61/89/70/375618970.db2.gz PAZWIEOXBISWCR-UHFFFAOYSA-N 1 2 269.260 3.343 10 5 CGBELO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000180720486 392711228 /nfs/dbraw/zinc/71/12/28/392711228.db2.gz ACFOKKVAIVTZHP-MEBBXXQBSA-N 1 2 288.351 3.428 10 5 CGBELO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998171 170394325 /nfs/dbraw/zinc/39/43/25/170394325.db2.gz ZUDNETGFEAPEMH-TXEJJXNPSA-N 1 2 276.336 3.040 10 5 CGBELO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998171 170394326 /nfs/dbraw/zinc/39/43/26/170394326.db2.gz ZUDNETGFEAPEMH-TXEJJXNPSA-N 1 2 276.336 3.040 10 5 CGBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020136372 171023989 /nfs/dbraw/zinc/02/39/89/171023989.db2.gz SXZXUCMFDSCODH-UHFFFAOYSA-N 1 2 299.355 3.494 10 5 CGBELO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633052 618214257 /nfs/dbraw/zinc/21/42/57/618214257.db2.gz RPMFRLOEWNEGDC-LLVKDONJSA-N 1 2 296.754 3.049 10 5 CGBELO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633052 618214259 /nfs/dbraw/zinc/21/42/59/618214259.db2.gz RPMFRLOEWNEGDC-LLVKDONJSA-N 1 2 296.754 3.049 10 5 CGBELO CC(C)n1cc[nH+]c1CNc1cc([N+](=O)[O-])ccc1F ZINC000124158458 187124398 /nfs/dbraw/zinc/12/43/98/187124398.db2.gz KHDHEEGAIXYEQF-UHFFFAOYSA-N 1 2 278.287 3.123 10 5 CGBELO Cc1ccc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000037562816 369089287 /nfs/dbraw/zinc/08/92/87/369089287.db2.gz DXVQYSVNQAARAQ-VIFPVBQESA-N 1 2 266.322 3.409 10 5 CGBELO Cc1cc([N+](=O)[O-])ccc1Oc1ccn2cc[nH+]c2c1 ZINC000089201414 370039724 /nfs/dbraw/zinc/03/97/24/370039724.db2.gz ODLYXCLHTRDYCA-UHFFFAOYSA-N 1 2 269.260 3.343 10 5 CGBELO Cc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C(C)C ZINC000123600288 187100268 /nfs/dbraw/zinc/10/02/68/187100268.db2.gz AQUDMBXOLFUUBG-UHFFFAOYSA-N 1 2 274.324 3.293 10 5 CGBELO CC(C)CCNc1cc(-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000038979703 344956875 /nfs/dbraw/zinc/95/68/75/344956875.db2.gz BVQQEQUUHWQROK-UHFFFAOYSA-N 1 2 274.324 3.239 10 5 CGBELO Cc1cnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000230645275 376523666 /nfs/dbraw/zinc/52/36/66/376523666.db2.gz VWVNALQDHAUFMS-LLVKDONJSA-N 1 2 275.308 3.050 10 5 CGBELO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998172 170394169 /nfs/dbraw/zinc/39/41/69/170394169.db2.gz ZUDNETGFEAPEMH-RYUDHWBXSA-N 1 2 276.336 3.040 10 5 CGBELO CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633053 619207407 /nfs/dbraw/zinc/20/74/07/619207407.db2.gz RPMFRLOEWNEGDC-NSHDSACASA-N 1 2 296.754 3.049 10 5 CGBELO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093633053 619207409 /nfs/dbraw/zinc/20/74/09/619207409.db2.gz RPMFRLOEWNEGDC-NSHDSACASA-N 1 2 296.754 3.049 10 5 CGBELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000227556163 376398462 /nfs/dbraw/zinc/39/84/62/376398462.db2.gz IFDKDWIFJOXGHU-NSHDSACASA-N 1 2 275.308 3.050 10 5 CGBELO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998173 170394318 /nfs/dbraw/zinc/39/43/18/170394318.db2.gz ZUDNETGFEAPEMH-VXGBXAGGSA-N 1 2 276.336 3.040 10 5 CGBELO