smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C[NH2+][C@H](C)CC#N ZINC000037871122 1170985819 /nfs/dbraw/zinc/98/58/19/1170985819.db2.gz XGRKTABOTDGXPS-SNVBAGLBSA-N 1 2 204.273 2.087 10 30 BEEELO COc1ccccc1C[NH2+][C@@H](C)CC#N ZINC000037871121 1170987213 /nfs/dbraw/zinc/98/72/13/1170987213.db2.gz XGRKTABOTDGXPS-JTQLQIEISA-N 1 2 204.273 2.087 10 30 BEEELO Cc1cc(NC[C@@H](C)C[C@@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301796741 178165064 /nfs/dbraw/zinc/16/50/64/178165064.db2.gz TZUUAONWYRAJRB-GXSJLCMTSA-N 1 2 247.342 2.389 10 30 BEEELO Cc1cc2[nH+]c(CCCO)n(CC#N)c2cc1C ZINC000040310989 178301486 /nfs/dbraw/zinc/30/14/86/178301486.db2.gz VZRAKFLDYRRUPN-UHFFFAOYSA-N 1 2 243.310 2.102 10 30 BEEELO CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000336813782 136271019 /nfs/dbraw/zinc/27/10/19/136271019.db2.gz DCOFCDCDKCSSNP-WDEREUQCSA-N 1 2 233.315 2.327 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000054826167 136372922 /nfs/dbraw/zinc/37/29/22/136372922.db2.gz WQOCETQJOSQKKM-CMPLNLGQSA-N 1 2 244.294 2.197 10 30 BEEELO N#CCCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974210 187262223 /nfs/dbraw/zinc/26/22/23/187262223.db2.gz MQNOWNYCPCOJNI-UHFFFAOYSA-N 1 2 226.283 2.436 10 30 BEEELO Cc1ccc(/C=C2\C[N@H+](C)CCC2=O)cc1 ZINC000142576505 344324362 /nfs/dbraw/zinc/32/43/62/344324362.db2.gz DRNVDXGCWXEGKP-UKTHLTGXSA-N 1 2 215.296 2.283 10 30 BEEELO Cc1ccc(/C=C2\C[N@@H+](C)CCC2=O)cc1 ZINC000142576505 344324364 /nfs/dbraw/zinc/32/43/64/344324364.db2.gz DRNVDXGCWXEGKP-UKTHLTGXSA-N 1 2 215.296 2.283 10 30 BEEELO C[C@@H]1SCC[C@]1(C#N)[NH2+]C1CCCC1 ZINC000235343021 344890081 /nfs/dbraw/zinc/89/00/81/344890081.db2.gz DZHCJMREFURBIG-GXSJLCMTSA-N 1 2 210.346 2.306 10 30 BEEELO C[C@H]1CC[N@H+](C[C@@H](C#N)C(F)(F)F)C1 ZINC000235556386 344940966 /nfs/dbraw/zinc/94/09/66/344940966.db2.gz BVLUCDRHTWJQRY-JGVFFNPUSA-N 1 2 206.211 2.030 10 30 BEEELO C[C@H]1CC[N@@H+](C[C@@H](C#N)C(F)(F)F)C1 ZINC000235556386 344940969 /nfs/dbraw/zinc/94/09/69/344940969.db2.gz BVLUCDRHTWJQRY-JGVFFNPUSA-N 1 2 206.211 2.030 10 30 BEEELO C=CCNc1[nH+]cc(N)c(C)c1Br ZINC000167022111 346181957 /nfs/dbraw/zinc/18/19/57/346181957.db2.gz NMISZFIXKCHQNG-UHFFFAOYSA-N 1 2 242.120 2.333 10 30 BEEELO Cc1cccc(OCCC/C(N)=[NH+]/O)c1C ZINC000019487622 179164442 /nfs/dbraw/zinc/16/44/42/179164442.db2.gz WQTNEJPLXBBSNM-UHFFFAOYSA-N 1 2 222.288 2.209 10 30 BEEELO Cc1ccccc1CSC[C@](C)([NH3+])C#N ZINC000054964654 179287178 /nfs/dbraw/zinc/28/71/78/179287178.db2.gz LGFUKUMBGILFDU-GFCCVEGCSA-N 1 2 220.341 2.469 10 30 BEEELO Cc1ccccc1CSC[C@@](C)([NH3+])C#N ZINC000054964655 179287790 /nfs/dbraw/zinc/28/77/90/179287790.db2.gz LGFUKUMBGILFDU-LBPRGKRZSA-N 1 2 220.341 2.469 10 30 BEEELO C[C@H](CC#N)[N@H+](C)[C@H]1CCCCCC1=O ZINC000251529155 362884833 /nfs/dbraw/zinc/88/48/33/362884833.db2.gz KAPCHTIBKIXPRR-MNOVXSKESA-N 1 2 208.305 2.122 10 30 BEEELO C[C@H](CC#N)[N@@H+](C)[C@H]1CCCCCC1=O ZINC000251529155 362884838 /nfs/dbraw/zinc/88/48/38/362884838.db2.gz KAPCHTIBKIXPRR-MNOVXSKESA-N 1 2 208.305 2.122 10 30 BEEELO N#C[C@H]1CCCC[C@@H]1NCc1c[nH+]c2n1CCC2 ZINC000597195589 348672107 /nfs/dbraw/zinc/67/21/07/348672107.db2.gz KQRVBHYKIHGQJQ-YPMHNXCESA-N 1 2 244.342 2.001 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000092339550 362947067 /nfs/dbraw/zinc/94/70/67/362947067.db2.gz PKJWUFBFJLYCNU-DGCLKSJQSA-N 1 2 233.315 2.463 10 30 BEEELO Cc1[nH+]c2ccccc2n1CCCC/C(N)=N/O ZINC000049580315 180104601 /nfs/dbraw/zinc/10/46/01/180104601.db2.gz YFHTYPOICOBEEH-UHFFFAOYSA-N 1 2 246.314 2.261 10 30 BEEELO Cc1nccc(C[NH2+][C@H]2CCCCC[C@@H]2C#N)n1 ZINC000054825894 180190758 /nfs/dbraw/zinc/19/07/58/180190758.db2.gz IOTDFEVSZNPIIA-OCCSQVGLSA-N 1 2 244.342 2.347 10 30 BEEELO Cc1ccnc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000328197705 350392351 /nfs/dbraw/zinc/39/23/51/350392351.db2.gz RZZUQXRCDNSYDH-WCQYABFASA-N 1 2 215.300 2.172 10 30 BEEELO Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)o1 ZINC000397939550 350993962 /nfs/dbraw/zinc/99/39/62/350993962.db2.gz ZAIJTTYHQUCHIF-ZYHUDNBSSA-N 1 2 219.288 2.155 10 30 BEEELO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616644670 351162564 /nfs/dbraw/zinc/16/25/64/351162564.db2.gz HCXMVIDVNACBCQ-CQSZACIVSA-N 1 2 230.311 2.340 10 30 BEEELO CC(C)[N@H+]1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616644670 351162566 /nfs/dbraw/zinc/16/25/66/351162566.db2.gz HCXMVIDVNACBCQ-CQSZACIVSA-N 1 2 230.311 2.340 10 30 BEEELO C[C@H](C[NH2+][C@@H](C)C#N)COCc1ccccc1 ZINC000307020538 351424677 /nfs/dbraw/zinc/42/46/77/351424677.db2.gz TVYKYLSHLYBJFK-OLZOCXBDSA-N 1 2 232.327 2.341 10 30 BEEELO Cc1ccnc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000328197503 352181369 /nfs/dbraw/zinc/18/13/69/352181369.db2.gz RZZUQXRCDNSYDH-AAEUAGOBSA-N 1 2 215.300 2.172 10 30 BEEELO CC(C)(C)c1cccc(OC[C@@H]([NH3+])C#N)c1 ZINC000019665836 188281631 /nfs/dbraw/zinc/28/16/31/188281631.db2.gz WVTDSNMVKXQTPH-NSHDSACASA-N 1 2 218.300 2.214 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1CC#Cc1ccccc1 ZINC000192037669 353532243 /nfs/dbraw/zinc/53/22/43/353532243.db2.gz BMJOSSOBHDPRMA-ZIAGYGMSSA-N 1 2 229.323 2.147 10 30 BEEELO N#CC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000055015806 181044857 /nfs/dbraw/zinc/04/48/57/181044857.db2.gz MWKNGRJYOADZTQ-UONOGXRCSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@@H]([NH3+])COc1cc(Cl)ccc1Cl ZINC000019666057 181056688 /nfs/dbraw/zinc/05/66/88/181056688.db2.gz NHNFDJSOPUQATO-SSDOTTSWSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])CCOc1cccc2ccccc21 ZINC000019666752 181065302 /nfs/dbraw/zinc/06/53/02/181065302.db2.gz OVQOXZAHLYWBSZ-GFCCVEGCSA-N 1 2 226.279 2.460 10 30 BEEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000054824443 181058220 /nfs/dbraw/zinc/05/82/20/181058220.db2.gz CMYDMUKMHDRKHA-CMPLNLGQSA-N 1 2 204.273 2.452 10 30 BEEELO N#C[C@]1(Nc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000061990863 181071606 /nfs/dbraw/zinc/07/16/06/181071606.db2.gz AJKMHIGUCMMPJZ-CQSZACIVSA-N 1 2 227.311 2.229 10 30 BEEELO N#C[C@]1(Nc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000061990863 181071607 /nfs/dbraw/zinc/07/16/07/181071607.db2.gz AJKMHIGUCMMPJZ-CQSZACIVSA-N 1 2 227.311 2.229 10 30 BEEELO N#Cc1ccc(-c2ccc(N)[nH+]c2)s1 ZINC000052886393 181095176 /nfs/dbraw/zinc/09/51/76/181095176.db2.gz JHHZQPDLOQKXKU-UHFFFAOYSA-N 1 2 201.254 2.264 10 30 BEEELO N#Cc1cc2c(nc1-n1cc[nH+]c1)CCCC2 ZINC000043410261 181092685 /nfs/dbraw/zinc/09/26/85/181092685.db2.gz AFCQTOPDJSIIFD-UHFFFAOYSA-N 1 2 224.267 2.018 10 30 BEEELO CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(C)no1 ZINC000330269053 356195746 /nfs/dbraw/zinc/19/57/46/356195746.db2.gz JAZABQLITDPYOO-VIFPVBQESA-N 1 2 223.276 2.055 10 30 BEEELO CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(C)no1 ZINC000330269053 356195749 /nfs/dbraw/zinc/19/57/49/356195749.db2.gz JAZABQLITDPYOO-VIFPVBQESA-N 1 2 223.276 2.055 10 30 BEEELO Cc1ccc([C@H](O)C/[NH+]=C/c2ccc[nH]2)cc1 ZINC000584596149 358254089 /nfs/dbraw/zinc/25/40/89/358254089.db2.gz SQBOZJLGJUZFFM-UWZYDCLUSA-N 1 2 228.295 2.476 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127493073 358563376 /nfs/dbraw/zinc/56/33/76/358563376.db2.gz DUNKOKSCWCCYLI-CQSZACIVSA-N 1 2 233.311 2.342 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127493073 358563380 /nfs/dbraw/zinc/56/33/80/358563380.db2.gz DUNKOKSCWCCYLI-CQSZACIVSA-N 1 2 233.311 2.342 10 30 BEEELO O=C[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000054237736 369060956 /nfs/dbraw/zinc/06/09/56/369060956.db2.gz OYNKHZQALHAUBW-LLVKDONJSA-N 1 2 209.314 2.302 10 30 BEEELO O=C[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000054237736 369060961 /nfs/dbraw/zinc/06/09/61/369060961.db2.gz OYNKHZQALHAUBW-LLVKDONJSA-N 1 2 209.314 2.302 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)sn1 ZINC000404479803 369430425 /nfs/dbraw/zinc/43/04/25/369430425.db2.gz DQRGQXOJBOXUSU-KOLCDFICSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2C#N)o1 ZINC000311831158 370440209 /nfs/dbraw/zinc/44/02/09/370440209.db2.gz LNOZWRNEUZKARE-NEPJUHHUSA-N 1 2 233.315 2.463 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2C#N)o1 ZINC000311831160 370440347 /nfs/dbraw/zinc/44/03/47/370440347.db2.gz LNOZWRNEUZKARE-NWDGAFQWSA-N 1 2 233.315 2.463 10 30 BEEELO Cc1cc(N(C)CC2CC2)c(C#N)c(C)[nH+]1 ZINC000156542687 371446768 /nfs/dbraw/zinc/44/67/68/371446768.db2.gz HNLAGYOIUOTLJH-UHFFFAOYSA-N 1 2 215.300 2.416 10 30 BEEELO Cc1cc(N[C@H]2CCCOC2)c(C#N)c(C)[nH+]1 ZINC000156581840 371457717 /nfs/dbraw/zinc/45/77/17/371457717.db2.gz CWWNUUUVIVSFSJ-NSHDSACASA-N 1 2 231.299 2.161 10 30 BEEELO CCCN(c1ccc(/C(N)=[NH+]/O)cc1)C1CC1 ZINC000037097354 169182451 /nfs/dbraw/zinc/18/24/51/169182451.db2.gz PGYJSBNCWDZLFO-UHFFFAOYSA-N 1 2 233.315 2.160 10 30 BEEELO Cc1cc(NC[C@@H]2CCCOC2)c(C#N)c(C)[nH+]1 ZINC000157421823 384447687 /nfs/dbraw/zinc/44/76/87/384447687.db2.gz HFHGZHWNYABSIS-LBPRGKRZSA-N 1 2 245.326 2.409 10 30 BEEELO N#C[C@@]1([NH3+])CCc2ccc(Br)cc21 ZINC000260156802 387306267 /nfs/dbraw/zinc/30/62/67/387306267.db2.gz DNPFLBOJQASLCD-JTQLQIEISA-N 1 2 237.100 2.073 10 30 BEEELO C=C(C)C[N@@H+](CC)Cc1nnc(C2CC2)n1C ZINC000195430193 388163164 /nfs/dbraw/zinc/16/31/64/388163164.db2.gz OWIWVMFPMLVGFB-UHFFFAOYSA-N 1 2 234.347 2.091 10 30 BEEELO C=C(C)C[N@H+](CC)Cc1nnc(C2CC2)n1C ZINC000195430193 388163165 /nfs/dbraw/zinc/16/31/65/388163165.db2.gz OWIWVMFPMLVGFB-UHFFFAOYSA-N 1 2 234.347 2.091 10 30 BEEELO C[C@H]1CCc2ccccc2N1CCC/C(N)=[NH+]/O ZINC000019471858 132325080 /nfs/dbraw/zinc/32/50/80/132325080.db2.gz GAKLAOQJZDKNRX-NSHDSACASA-N 1 2 247.342 2.354 10 30 BEEELO Cc1ccc2c(c1)CCC[N@H+]2CCC/C(N)=N/O ZINC000019505008 132325778 /nfs/dbraw/zinc/32/57/78/132325778.db2.gz OBDLVVCHKWMKOB-UHFFFAOYSA-N 1 2 247.342 2.274 10 30 BEEELO Cc1ccc2c(c1)CCC[N@@H+]2CCC/C(N)=N/O ZINC000019505008 132325779 /nfs/dbraw/zinc/32/57/79/132325779.db2.gz OBDLVVCHKWMKOB-UHFFFAOYSA-N 1 2 247.342 2.274 10 30 BEEELO CC1CCN(c2ccc(/C(N)=[NH+]/O)cc2)CC1 ZINC000019865630 132327866 /nfs/dbraw/zinc/32/78/66/132327866.db2.gz ZBBHLAZKKBUEHI-UHFFFAOYSA-N 1 2 233.315 2.017 10 30 BEEELO C[C@@H]1CCCCN1c1ccc(/C(N)=[NH+]/O)cc1 ZINC000019865642 132327904 /nfs/dbraw/zinc/32/79/04/132327904.db2.gz BDBYWIHECSWRLC-SNVBAGLBSA-N 1 2 233.315 2.160 10 30 BEEELO C[C@@H](CC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000048208915 132355345 /nfs/dbraw/zinc/35/53/45/132355345.db2.gz NYYYHDMAXADDDL-ZDUSSCGKSA-N 1 2 229.327 2.111 10 30 BEEELO C[C@@H]1[C@@H](C)CCCN1c1ccc(/C(N)=[NH+]/O)cc1 ZINC000060117363 132368794 /nfs/dbraw/zinc/36/87/94/132368794.db2.gz PLVQBHNDICOVQZ-WDEREUQCSA-N 1 2 247.342 2.406 10 30 BEEELO C[C@H](C#N)C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000060533112 132368841 /nfs/dbraw/zinc/36/88/41/132368841.db2.gz DENIUZVLFVDAED-GFCCVEGCSA-N 1 2 245.326 2.095 10 30 BEEELO C=CC[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121388761 134233834 /nfs/dbraw/zinc/23/38/34/134233834.db2.gz KCIGKUBKQNZHET-NSHDSACASA-N 1 2 225.332 2.369 10 30 BEEELO C=CC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121388761 134233835 /nfs/dbraw/zinc/23/38/35/134233835.db2.gz KCIGKUBKQNZHET-NSHDSACASA-N 1 2 225.332 2.369 10 30 BEEELO C[C@H](NCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649197 134330693 /nfs/dbraw/zinc/33/06/93/134330693.db2.gz GUQQGIVVSJRQQO-NSHDSACASA-N 1 2 226.283 2.046 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CCCc2ccccc2C1 ZINC000062944628 134395016 /nfs/dbraw/zinc/39/50/16/134395016.db2.gz UMZFRZAOCCRHIX-NSHDSACASA-N 1 2 200.285 2.347 10 30 BEEELO C[C@@H](C#N)[N@H+]1CCCc2ccccc2C1 ZINC000062944628 134395018 /nfs/dbraw/zinc/39/50/18/134395018.db2.gz UMZFRZAOCCRHIX-NSHDSACASA-N 1 2 200.285 2.347 10 30 BEEELO C[C@H](C#N)[N@@H+]1CCCc2ccccc2C1 ZINC000062944629 134395097 /nfs/dbraw/zinc/39/50/97/134395097.db2.gz UMZFRZAOCCRHIX-LLVKDONJSA-N 1 2 200.285 2.347 10 30 BEEELO C[C@H](C#N)[N@H+]1CCCc2ccccc2C1 ZINC000062944629 134395099 /nfs/dbraw/zinc/39/50/99/134395099.db2.gz UMZFRZAOCCRHIX-LLVKDONJSA-N 1 2 200.285 2.347 10 30 BEEELO CCCO[C@H]1CCC[N@@H+]([C@H](C)C#N)CC1 ZINC000248478841 135013395 /nfs/dbraw/zinc/01/33/95/135013395.db2.gz ZLDDSOIEOGSKRP-NEPJUHHUSA-N 1 2 210.321 2.180 10 30 BEEELO CCCO[C@H]1CCC[N@H+]([C@H](C)C#N)CC1 ZINC000248478841 135013398 /nfs/dbraw/zinc/01/33/98/135013398.db2.gz ZLDDSOIEOGSKRP-NEPJUHHUSA-N 1 2 210.321 2.180 10 30 BEEELO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C#N)CC1 ZINC000248478842 135013612 /nfs/dbraw/zinc/01/36/12/135013612.db2.gz ZLDDSOIEOGSKRP-VXGBXAGGSA-N 1 2 210.321 2.180 10 30 BEEELO CCCO[C@@H]1CCC[N@H+]([C@H](C)C#N)CC1 ZINC000248478842 135013615 /nfs/dbraw/zinc/01/36/15/135013615.db2.gz ZLDDSOIEOGSKRP-VXGBXAGGSA-N 1 2 210.321 2.180 10 30 BEEELO CC(C)[NH2+][C@@H](C#N)CCn1cnc2ccccc21 ZINC000062440134 167129219 /nfs/dbraw/zinc/12/92/19/167129219.db2.gz YOGACXYAUVQBTK-GFCCVEGCSA-N 1 2 242.326 2.317 10 30 BEEELO CC1CCC(C#N)([NH2+]C[C@H]2CCCO2)CC1 ZINC000037939987 168149106 /nfs/dbraw/zinc/14/91/06/168149106.db2.gz UXDBYSCODUPOEC-OTTFEQOBSA-N 1 2 222.332 2.227 10 30 BEEELO C[N@@H+]1CC[C@](C#N)(Nc2ccc(Cl)cc2)C1 ZINC000061990873 173163536 /nfs/dbraw/zinc/16/35/36/173163536.db2.gz LPEMKTIXYBWIBN-GFCCVEGCSA-N 1 2 235.718 2.350 10 30 BEEELO C[N@H+]1CC[C@](C#N)(Nc2ccc(Cl)cc2)C1 ZINC000061990873 173163538 /nfs/dbraw/zinc/16/35/38/173163538.db2.gz LPEMKTIXYBWIBN-GFCCVEGCSA-N 1 2 235.718 2.350 10 30 BEEELO C[NH2+][C@](C)(C#N)CCCn1ncc2ccccc21 ZINC000050527940 173469330 /nfs/dbraw/zinc/46/93/30/173469330.db2.gz UQBDRIVXPOBSPF-AWEZNQCLSA-N 1 2 242.326 2.318 10 30 BEEELO COCC[N@H+](CCC#N)[C@@H](C)c1cccc(N)c1 ZINC000071221837 174289285 /nfs/dbraw/zinc/28/92/85/174289285.db2.gz BEIMOAILBHNSAT-LBPRGKRZSA-N 1 2 247.342 2.192 10 30 BEEELO COCC[N@@H+](CCC#N)[C@@H](C)c1cccc(N)c1 ZINC000071221837 174289286 /nfs/dbraw/zinc/28/92/86/174289286.db2.gz BEIMOAILBHNSAT-LBPRGKRZSA-N 1 2 247.342 2.192 10 30 BEEELO COc1ccc([NH2+]C[C@H](C)C#N)c(OC)c1 ZINC000032013635 175151729 /nfs/dbraw/zinc/15/17/29/175151729.db2.gz NFTAYFDYOFNYGZ-SECBINFHSA-N 1 2 220.272 2.275 10 30 BEEELO COc1ccc([C@@](C)([NH3+])C#N)cc1Cl ZINC000057496397 175186001 /nfs/dbraw/zinc/18/60/01/175186001.db2.gz HNWIQUYDBWZDNQ-JTQLQIEISA-N 1 2 210.664 2.046 10 30 BEEELO C[C@@H]1CC(C)(C)C[C@@](C#N)([NH2+]CCCO)C1 ZINC000053708779 176051920 /nfs/dbraw/zinc/05/19/20/176051920.db2.gz KXLCVYGJLKIMRG-YPMHNXCESA-N 1 2 224.348 2.067 10 30 BEEELO O=c1cc([NH+]=Cc2ccccc2)[nH]c(=S)[nH]1 ZINC000584639573 490181833 /nfs/dbraw/zinc/18/18/33/490181833.db2.gz HTWHKEPIYNDLDE-KPKJPENVSA-N 1 2 231.280 2.222 10 30 BEEELO CN1CCc2cc([NH2+]CCC#N)ccc21 ZINC000757133018 582509142 /nfs/dbraw/zinc/50/91/42/582509142.db2.gz SLFWUBLGCOLAQR-UHFFFAOYSA-N 1 2 201.273 2.004 10 30 BEEELO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248818418 534442091 /nfs/dbraw/zinc/44/20/91/534442091.db2.gz IVMGXPZBCWBTMK-AXFHLTTASA-N 1 2 243.734 2.012 10 30 BEEELO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248818418 534442096 /nfs/dbraw/zinc/44/20/96/534442096.db2.gz IVMGXPZBCWBTMK-AXFHLTTASA-N 1 2 243.734 2.012 10 30 BEEELO N#C[C@H]([NH3+])CCSCc1ccc(Cl)o1 ZINC000757162018 586430882 /nfs/dbraw/zinc/43/08/82/586430882.db2.gz AUGIIBHZJWUTCN-SSDOTTSWSA-N 1 2 230.720 2.407 10 30 BEEELO C=C(Br)C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644512 643359594 /nfs/dbraw/zinc/35/95/94/643359594.db2.gz YUCQQGDDBQQIML-JTQLQIEISA-N 1 2 246.148 2.196 10 30 BEEELO C=C(Br)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000082644512 643359595 /nfs/dbraw/zinc/35/95/95/643359595.db2.gz YUCQQGDDBQQIML-JTQLQIEISA-N 1 2 246.148 2.196 10 30 BEEELO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)on1 ZINC000044991803 1171430119 /nfs/dbraw/zinc/43/01/19/1171430119.db2.gz OWXLQXMINYKHJK-UHFFFAOYSA-N 1 2 245.257 2.284 10 30 BEEELO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C#N)no1 ZINC000054827881 178033745 /nfs/dbraw/zinc/03/37/45/178033745.db2.gz FQUCOXZNEKEIEB-CMPLNLGQSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(NC[C@](C)(O)C(C)C)c(C#N)c(C)[nH+]1 ZINC000301807902 178170495 /nfs/dbraw/zinc/17/04/95/178170495.db2.gz YJJBIYJGPDSIGF-AWEZNQCLSA-N 1 2 247.342 2.389 10 30 BEEELO c1ccc2c(c1)[nH+]ccc2OC[C@@H]1CO1 ZINC000146000983 342764244 /nfs/dbraw/zinc/76/42/44/342764244.db2.gz PXKDVPDQJFUYFG-VIFPVBQESA-N 1 2 201.225 2.012 10 30 BEEELO C[C@@H]1C[NH+](Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000127019881 342814547 /nfs/dbraw/zinc/81/45/47/342814547.db2.gz WTROGBXDDVESFF-NXEZZACHSA-N 1 2 236.340 2.229 10 30 BEEELO C=CC[NH+](CC=C)[C@H](CC(C)C)C(=O)OC ZINC000220268269 343120281 /nfs/dbraw/zinc/12/02/81/343120281.db2.gz OENPMMJBPYBYMK-GFCCVEGCSA-N 1 2 225.332 2.248 10 30 BEEELO N#C[C@@]1([NH+]2CCCCC2)CCCSC1 ZINC000032189848 187256186 /nfs/dbraw/zinc/25/61/86/187256186.db2.gz IMYZVFFDFAAPLC-NSHDSACASA-N 1 2 210.346 2.262 10 30 BEEELO N#CCC[N@@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000044415031 187268872 /nfs/dbraw/zinc/26/88/72/187268872.db2.gz PIYGAOHJTUOCLU-CQSZACIVSA-N 1 2 230.311 2.098 10 30 BEEELO N#CCC[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000044415031 187268873 /nfs/dbraw/zinc/26/88/73/187268873.db2.gz PIYGAOHJTUOCLU-CQSZACIVSA-N 1 2 230.311 2.098 10 30 BEEELO N#CC1([NH+]2CCCCC2)CCSCC1 ZINC000039018878 344279169 /nfs/dbraw/zinc/27/91/69/344279169.db2.gz XNIKTAHCSRKRHI-UHFFFAOYSA-N 1 2 210.346 2.262 10 30 BEEELO CCOc1cc(-n2cc[nH+]c2)ccc1C#N ZINC000039099960 344847297 /nfs/dbraw/zinc/84/72/97/344847297.db2.gz UZPYAYPVFMJEMB-UHFFFAOYSA-N 1 2 213.240 2.143 10 30 BEEELO C[C@H]1CS[C@H](c2ccccc2C#N)[NH2+]1 ZINC000235673750 345009360 /nfs/dbraw/zinc/00/93/60/345009360.db2.gz QGCRXOFRFXVEEW-GZMMTYOYSA-N 1 2 204.298 2.282 10 30 BEEELO Cc1ccc2c(c1)[nH+]c(CCS)n2C ZINC000074295590 178959736 /nfs/dbraw/zinc/95/97/36/178959736.db2.gz AMNXVEJADIKIQR-UHFFFAOYSA-N 1 2 206.314 2.354 10 30 BEEELO N#Cc1ccccc1[C@@H]1[NH2+]CCCS1 ZINC000236194738 346206250 /nfs/dbraw/zinc/20/62/50/346206250.db2.gz RQBWMTALNJCZCM-LLVKDONJSA-N 1 2 204.298 2.283 10 30 BEEELO N#C[C@]1([NH3+])CCc2c1cccc2Br ZINC000236305228 346225328 /nfs/dbraw/zinc/22/53/28/346225328.db2.gz XFSXEOBTHQUPQI-SNVBAGLBSA-N 1 2 237.100 2.073 10 30 BEEELO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000054829134 179097836 /nfs/dbraw/zinc/09/78/36/179097836.db2.gz NFARZPDPJUAWSB-DGCLKSJQSA-N 1 2 215.300 2.172 10 30 BEEELO C=C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)OC ZINC000590972762 347598538 /nfs/dbraw/zinc/59/85/38/347598538.db2.gz BNLYETXZPHZJRL-LLVKDONJSA-N 1 2 223.316 2.026 10 30 BEEELO N#CC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000196360476 347869844 /nfs/dbraw/zinc/86/98/44/347869844.db2.gz OZEALBBDQXKEKW-GOOCMWNKSA-N 1 2 242.322 2.190 10 30 BEEELO N#CC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000196360476 347869847 /nfs/dbraw/zinc/86/98/47/347869847.db2.gz OZEALBBDQXKEKW-GOOCMWNKSA-N 1 2 242.322 2.190 10 30 BEEELO Cc1cccnc1N=C1NC(=[NH2+])c2ccccc21 ZINC000040802563 179360252 /nfs/dbraw/zinc/36/02/52/179360252.db2.gz COUVSLNVTYICPU-UHFFFAOYSA-N 1 2 236.278 2.187 10 30 BEEELO Cc1cccnc1[NH+]=C1NC(=N)c2ccccc21 ZINC000040802563 179360255 /nfs/dbraw/zinc/36/02/55/179360255.db2.gz COUVSLNVTYICPU-UHFFFAOYSA-N 1 2 236.278 2.187 10 30 BEEELO C[C@@H](CC#N)[N@H+](C)[C@H]1CCCCCC1=O ZINC000251529169 362884895 /nfs/dbraw/zinc/88/48/95/362884895.db2.gz KAPCHTIBKIXPRR-QWRGUYRKSA-N 1 2 208.305 2.122 10 30 BEEELO C[C@@H](CC#N)[N@@H+](C)[C@H]1CCCCCC1=O ZINC000251529169 362884898 /nfs/dbraw/zinc/88/48/98/362884898.db2.gz KAPCHTIBKIXPRR-QWRGUYRKSA-N 1 2 208.305 2.122 10 30 BEEELO COc1ccc(SC)c2c1C[C@@]([NH3+])(C#N)CC2 ZINC000038919295 350114288 /nfs/dbraw/zinc/11/42/88/350114288.db2.gz CDAKNABRRDMOJJ-CYBMUJFWSA-N 1 2 248.351 2.127 10 30 BEEELO Cc1[nH+]c2ccccc2n1[C@@H](C)C/C(N)=N/O ZINC000048258114 180104573 /nfs/dbraw/zinc/10/45/73/180104573.db2.gz QVXDMPUFQLSRKT-QMMMGPOBSA-N 1 2 232.287 2.042 10 30 BEEELO Cc1nccc(C[NH2+][C@@H]2CCCCC[C@H]2C#N)n1 ZINC000054825895 180190571 /nfs/dbraw/zinc/19/05/71/180190571.db2.gz IOTDFEVSZNPIIA-GXTWGEPZSA-N 1 2 244.342 2.347 10 30 BEEELO C=C[C@@H](c1ccsc1)[NH+]1CCOCC1 ZINC000306767388 350996561 /nfs/dbraw/zinc/99/65/61/350996561.db2.gz CLDVKIRBBLDYJM-NSHDSACASA-N 1 2 209.314 2.307 10 30 BEEELO CC(C)[N@@H+]1CCOC[C@@H]1c1ccccc1C#N ZINC000616637005 351131542 /nfs/dbraw/zinc/13/15/42/351131542.db2.gz JIPITNBRJDTLNY-CQSZACIVSA-N 1 2 230.311 2.340 10 30 BEEELO CC(C)[N@H+]1CCOC[C@@H]1c1ccccc1C#N ZINC000616637005 351131543 /nfs/dbraw/zinc/13/15/43/351131543.db2.gz JIPITNBRJDTLNY-CQSZACIVSA-N 1 2 230.311 2.340 10 30 BEEELO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)nc1 ZINC000088135424 351624848 /nfs/dbraw/zinc/62/48/48/351624848.db2.gz WPSPVOXUBUMMLE-AAEUAGOBSA-N 1 2 215.300 2.172 10 30 BEEELO CN1CC[N@@H+]([C@@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432934 351745560 /nfs/dbraw/zinc/74/55/60/351745560.db2.gz SMIOSJVGBJETND-KGLIPLIRSA-N 1 2 233.359 2.015 10 30 BEEELO CN1CC[N@H+]([C@@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432934 351745561 /nfs/dbraw/zinc/74/55/61/351745561.db2.gz SMIOSJVGBJETND-KGLIPLIRSA-N 1 2 233.359 2.015 10 30 BEEELO Cc1ccc(SCC[C@@H]([NH3+])C#N)cc1 ZINC000062453223 188013194 /nfs/dbraw/zinc/01/31/94/188013194.db2.gz KYXMEFVRSNARNR-SNVBAGLBSA-N 1 2 206.314 2.328 10 30 BEEELO CCCn1nccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000160141157 353299861 /nfs/dbraw/zinc/29/98/61/353299861.db2.gz NPPHZSDLNABRTH-YPMHNXCESA-N 1 2 232.331 2.075 10 30 BEEELO C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000134076600 353458387 /nfs/dbraw/zinc/45/83/87/353458387.db2.gz HPGSOCHCPIQCKC-CHWSQXEVSA-N 1 2 247.313 2.286 10 30 BEEELO N#C[C@@H]([NH3+])CSc1ccc(Cl)cc1 ZINC000045333702 181056443 /nfs/dbraw/zinc/05/64/43/181056443.db2.gz JKEOQYZEXAZKPL-MRVPVSSYSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@H]([NH3+])CCSc1nc2ccccc2o1 ZINC000062455445 181064370 /nfs/dbraw/zinc/06/43/70/181064370.db2.gz FBLXWDSAZPCPKR-MRVPVSSYSA-N 1 2 233.296 2.161 10 30 BEEELO N#C[C@H]([NH3+])CSc1ccc(Cl)cc1 ZINC000045333703 181064423 /nfs/dbraw/zinc/06/44/23/181064423.db2.gz JKEOQYZEXAZKPL-QMMMGPOBSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@H]([NH3+])CCSc1ccc(F)cc1 ZINC000062453854 181064800 /nfs/dbraw/zinc/06/48/00/181064800.db2.gz DFRRQIZGRHLZGS-SECBINFHSA-N 1 2 210.277 2.159 10 30 BEEELO N#C[C@H]([NH3+])CSc1cccc(Cl)c1 ZINC000054186243 181064866 /nfs/dbraw/zinc/06/48/66/181064866.db2.gz LVUMCAVEKZMXBT-QMMMGPOBSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@H]([NH3+])CCSc1ccc(F)c(F)c1 ZINC000062451848 181065204 /nfs/dbraw/zinc/06/52/04/181065204.db2.gz XZGSUBLCXQXILI-SSDOTTSWSA-N 1 2 228.267 2.298 10 30 BEEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000054824197 181059133 /nfs/dbraw/zinc/05/91/33/181059133.db2.gz KGJULSQCNKTWSC-WCQYABFASA-N 1 2 215.300 2.254 10 30 BEEELO N/C(CCCSc1ccccc1F)=[NH+]\O ZINC000019847763 181182484 /nfs/dbraw/zinc/18/24/84/181182484.db2.gz MKPVNEYFURLOAB-UHFFFAOYSA-N 1 2 228.292 2.444 10 30 BEEELO CSCCNc1cc(C)[nH+]c(C)c1C#N ZINC000087975116 356384873 /nfs/dbraw/zinc/38/48/73/356384873.db2.gz JABQMIDLIBPBDQ-UHFFFAOYSA-N 1 2 221.329 2.345 10 30 BEEELO C[C@@H]1C[N@H+](CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192157 134123928 /nfs/dbraw/zinc/12/39/28/134123928.db2.gz ALUKSKGRNAMMNC-LLVKDONJSA-N 1 2 222.332 2.180 10 30 BEEELO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192157 134123929 /nfs/dbraw/zinc/12/39/29/134123929.db2.gz ALUKSKGRNAMMNC-LLVKDONJSA-N 1 2 222.332 2.180 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000612584419 359897427 /nfs/dbraw/zinc/89/74/27/359897427.db2.gz HPLGHTHUJJZZHI-NXEZZACHSA-N 1 2 247.367 2.414 10 30 BEEELO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000090209195 360065635 /nfs/dbraw/zinc/06/56/35/360065635.db2.gz HHSBFRFEMXFNHC-AAEUAGOBSA-N 1 2 232.331 2.246 10 30 BEEELO CCC[NH2+][C@@H](C#N)CCOc1cccc(F)c1 ZINC000062446754 169273128 /nfs/dbraw/zinc/27/31/28/169273128.db2.gz YIHUIWMTVCXRNB-GFCCVEGCSA-N 1 2 236.290 2.486 10 30 BEEELO CCC[NH2+][C@H](C#N)CCOc1cccc(F)c1 ZINC000062446750 169283629 /nfs/dbraw/zinc/28/36/29/169283629.db2.gz YIHUIWMTVCXRNB-LBPRGKRZSA-N 1 2 236.290 2.486 10 30 BEEELO CCCOc1ccccc1OCC[C@@H]([NH3+])C#N ZINC000062443587 169327475 /nfs/dbraw/zinc/32/74/75/169327475.db2.gz ITKOWZXJUNNUGT-LLVKDONJSA-N 1 2 234.299 2.095 10 30 BEEELO CC[N@H+](CC#N)C[C@@H]1Cc2ccccc21 ZINC000090976998 384080144 /nfs/dbraw/zinc/08/01/44/384080144.db2.gz CQNCNPNXLSLOPE-LBPRGKRZSA-N 1 2 200.285 2.172 10 30 BEEELO CC[N@@H+](CC#N)C[C@@H]1Cc2ccccc21 ZINC000090976998 384080148 /nfs/dbraw/zinc/08/01/48/384080148.db2.gz CQNCNPNXLSLOPE-LBPRGKRZSA-N 1 2 200.285 2.172 10 30 BEEELO C=CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511908 387921660 /nfs/dbraw/zinc/92/16/60/387921660.db2.gz RCGJGSUAOWLYBG-LBPRGKRZSA-N 1 2 246.358 2.327 10 30 BEEELO C=CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511908 387921663 /nfs/dbraw/zinc/92/16/63/387921663.db2.gz RCGJGSUAOWLYBG-LBPRGKRZSA-N 1 2 246.358 2.327 10 30 BEEELO C=C(C)C[N@@H+](CC)Cc1nnc(C)n1CC ZINC000195430214 388163692 /nfs/dbraw/zinc/16/36/92/388163692.db2.gz PMFCVNKZRHXDPR-UHFFFAOYSA-N 1 2 222.336 2.004 10 30 BEEELO C=C(C)C[N@H+](CC)Cc1nnc(C)n1CC ZINC000195430214 388163695 /nfs/dbraw/zinc/16/36/95/388163695.db2.gz PMFCVNKZRHXDPR-UHFFFAOYSA-N 1 2 222.336 2.004 10 30 BEEELO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000164661406 388243020 /nfs/dbraw/zinc/24/30/20/388243020.db2.gz IXDRPKQSIUZYIX-GHMZBOCLSA-N 1 2 204.273 2.370 10 30 BEEELO Cc1cc(C)cc(N2CC[NH+](CCC#N)CC2)c1 ZINC000045952200 132299357 /nfs/dbraw/zinc/29/93/57/132299357.db2.gz GBMWKWKWDOVIGI-UHFFFAOYSA-N 1 2 243.354 2.339 10 30 BEEELO CN1CC[N@H+](CC2CCCCCC2)C[C@@H]1C#N ZINC000336433328 134147168 /nfs/dbraw/zinc/14/71/68/134147168.db2.gz XIVGIKCZACGCON-AWEZNQCLSA-N 1 2 235.375 2.096 10 30 BEEELO CN1CC[N@@H+](CC2CCCCCC2)C[C@@H]1C#N ZINC000336433328 134147169 /nfs/dbraw/zinc/14/71/69/134147169.db2.gz XIVGIKCZACGCON-AWEZNQCLSA-N 1 2 235.375 2.096 10 30 BEEELO Cc1cc(N[C@@H]2C[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000087975099 135514175 /nfs/dbraw/zinc/51/41/75/135514175.db2.gz QCZRFLILNFFKLY-RDDDGLTNSA-N 1 2 201.273 2.390 10 30 BEEELO C=CC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119341478 166358333 /nfs/dbraw/zinc/35/83/33/166358333.db2.gz OANOUVHJGXTDJO-AWEZNQCLSA-N 1 2 233.311 2.255 10 30 BEEELO C=CC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119341478 166358334 /nfs/dbraw/zinc/35/83/34/166358334.db2.gz OANOUVHJGXTDJO-AWEZNQCLSA-N 1 2 233.311 2.255 10 30 BEEELO CC[C@@H]1CC[C@@H](C#N)[C@H]([NH+]2CCOCC2)C1 ZINC000037145627 171027174 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176556228 /nfs/dbraw/zinc/55/62/28/176556228.db2.gz ACEYIYISLYGRGH-SECBINFHSA-N 1 2 212.256 2.217 10 30 BEEELO C[C@H]1Cc2ccccc2N1CCCC/C(N)=[NH+]/O ZINC000049580120 177390873 /nfs/dbraw/zinc/39/08/73/177390873.db2.gz QIUGLFVHGKAGOL-NSHDSACASA-N 1 2 247.342 2.354 10 30 BEEELO CCC[C@@H]1C[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000399462541 266071363 /nfs/dbraw/zinc/07/13/63/266071363.db2.gz QNEVCMWRFQXLAA-ZWNOBZJWSA-N 1 2 215.300 2.284 10 30 BEEELO CO[C@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593567 487481201 /nfs/dbraw/zinc/48/12/01/487481201.db2.gz WECWYBXHTZIXPV-LBPRGKRZSA-N 1 2 245.326 2.185 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000088627219 491075857 /nfs/dbraw/zinc/07/58/57/491075857.db2.gz XZQDLEJFTYMWQW-YPMHNXCESA-N 1 2 240.310 2.116 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000088627221 491075903 /nfs/dbraw/zinc/07/59/03/491075903.db2.gz XZQDLEJFTYMWQW-AAEUAGOBSA-N 1 2 240.310 2.116 10 30 BEEELO CCCn1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000119095857 535609024 /nfs/dbraw/zinc/60/90/24/535609024.db2.gz NVPJCIIGWHFZAF-UHFFFAOYSA-N 1 2 246.358 2.419 10 30 BEEELO CCCn1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000119095857 535609030 /nfs/dbraw/zinc/60/90/30/535609030.db2.gz NVPJCIIGWHFZAF-UHFFFAOYSA-N 1 2 246.358 2.419 10 30 BEEELO C[C@@]([NH3+])(C#N)CSCc1ccc(Cl)o1 ZINC000757169717 582550015 /nfs/dbraw/zinc/55/00/15/582550015.db2.gz LZMSHFVSQUUQAY-SECBINFHSA-N 1 2 230.720 2.407 10 30 BEEELO C=CCN(c1ccc([C@H](C)O)c[nH+]1)C1CC1 ZINC000124952493 590103483 /nfs/dbraw/zinc/10/34/83/590103483.db2.gz CZHVKKRYIYLFNT-JTQLQIEISA-N 1 2 218.300 2.290 10 30 BEEELO C#CC[NH+](CC#C)CC#Cc1ccccc1Cl ZINC000135113692 591986693 /nfs/dbraw/zinc/98/66/93/591986693.db2.gz CDQYBIIQRFCDJM-UHFFFAOYSA-N 1 2 241.721 2.260 10 30 BEEELO C=C(C)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000219325852 592223038 /nfs/dbraw/zinc/22/30/38/592223038.db2.gz FDVWKSSLSUYQLV-SNVBAGLBSA-N 1 2 206.289 2.147 10 30 BEEELO Cc1coc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000718133476 712747055 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/nfs/dbraw/zinc/55/35/59/344553559.db2.gz MPVCLCKQXRNGGE-UHFFFAOYSA-N 1 2 228.299 2.094 10 30 BEEELO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000126064836 345104863 /nfs/dbraw/zinc/10/48/63/345104863.db2.gz JRJNJZZWBRFHHR-CYBMUJFWSA-N 1 2 248.326 2.194 10 30 BEEELO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1cccnc1 ZINC000126064836 345104865 /nfs/dbraw/zinc/10/48/65/345104865.db2.gz JRJNJZZWBRFHHR-CYBMUJFWSA-N 1 2 248.326 2.194 10 30 BEEELO Cn1cc[nH+]c1CC(=O)C1=CCCCC1 ZINC000236068218 346187837 /nfs/dbraw/zinc/18/78/37/346187837.db2.gz AXXOVMDGLRLKOR-UHFFFAOYSA-N 1 2 204.273 2.032 10 30 BEEELO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)c[nH+]1 ZINC000591990607 347721011 /nfs/dbraw/zinc/72/10/11/347721011.db2.gz KGOOIUNYLXIIFZ-CYZMBNFOSA-N 1 2 227.311 2.284 10 30 BEEELO Cc1nocc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000397880651 350986010 /nfs/dbraw/zinc/98/60/10/350986010.db2.gz MLIJLKSZDQBJQJ-JQWIXIFHSA-N 1 2 219.288 2.155 10 30 BEEELO N#Cc1cccc(COc2ccc[nH+]c2N)c1 ZINC000034957942 188284511 /nfs/dbraw/zinc/28/45/11/188284511.db2.gz DQLTVVPUFLGHQB-UHFFFAOYSA-N 1 2 225.251 2.114 10 30 BEEELO N#CCC[N@@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000044415032 188296231 /nfs/dbraw/zinc/29/62/31/188296231.db2.gz PIYGAOHJTUOCLU-AWEZNQCLSA-N 1 2 230.311 2.098 10 30 BEEELO N#CCC[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000044415032 188296233 /nfs/dbraw/zinc/29/62/33/188296233.db2.gz PIYGAOHJTUOCLU-AWEZNQCLSA-N 1 2 230.311 2.098 10 30 BEEELO C=C[C@H]([NH2+]C1CCC(CC)CC1)C(=O)OC ZINC000301013648 363294575 /nfs/dbraw/zinc/29/45/75/363294575.db2.gz HGCYYBZCGWLZQF-MCIGGMRASA-N 1 2 225.332 2.272 10 30 BEEELO N#C[C@@H](Cc1cccs1)[NH+]1CCCC1 ZINC000041215237 181055087 /nfs/dbraw/zinc/05/50/87/181055087.db2.gz OQIBBTGJNUIUFB-SNVBAGLBSA-N 1 2 206.314 2.279 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1ccc(F)cc1F ZINC000062451991 181055351 /nfs/dbraw/zinc/05/53/51/181055351.db2.gz PIMBXKLJFAAMJW-QMMMGPOBSA-N 1 2 228.267 2.298 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1ccc(F)cc1 ZINC000062453851 181055544 /nfs/dbraw/zinc/05/55/44/181055544.db2.gz DFRRQIZGRHLZGS-VIFPVBQESA-N 1 2 210.277 2.159 10 30 BEEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000054824444 181058960 /nfs/dbraw/zinc/05/89/60/181058960.db2.gz CMYDMUKMHDRKHA-JQWIXIFHSA-N 1 2 204.273 2.452 10 30 BEEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccco1 ZINC000054824441 181069049 /nfs/dbraw/zinc/06/90/49/181069049.db2.gz CMYDMUKMHDRKHA-ZYHUDNBSSA-N 1 2 204.273 2.452 10 30 BEEELO N#Cc1c(F)cccc1NCc1[nH]cc[nH+]1 ZINC000049714870 181075969 /nfs/dbraw/zinc/07/59/69/181075969.db2.gz DVIZUBYDHDVNFA-UHFFFAOYSA-N 1 2 216.219 2.033 10 30 BEEELO N#Cc1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000043569408 181129120 /nfs/dbraw/zinc/12/91/20/181129120.db2.gz CSXIRQZCWKINBV-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO N#Cc1cccc(Nc2[nH+]cccc2N)c1 ZINC000020585529 181142791 /nfs/dbraw/zinc/14/27/91/181142791.db2.gz ZHXGMLVHYSMOQL-UHFFFAOYSA-N 1 2 210.240 2.279 10 30 BEEELO N#Cc1ncccc1C[NH2+]Cc1ccccc1F ZINC000061657074 181170855 /nfs/dbraw/zinc/17/08/55/181170855.db2.gz DIVRZJKZIDYDHO-UHFFFAOYSA-N 1 2 241.269 2.382 10 30 BEEELO N/C(CCCSc1ccc(F)cc1)=[NH+]\O ZINC000019847814 181182153 /nfs/dbraw/zinc/18/21/53/181182153.db2.gz QHTFQPMFNVATGC-UHFFFAOYSA-N 1 2 228.292 2.444 10 30 BEEELO N/C(CCCOc1ccccc1Cl)=[NH+]\O ZINC000019489279 181182507 /nfs/dbraw/zinc/18/25/07/181182507.db2.gz MEQVVZOLPAWYPI-UHFFFAOYSA-N 1 2 228.679 2.245 10 30 BEEELO N#Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000230686535 357549807 /nfs/dbraw/zinc/54/98/07/357549807.db2.gz LCXXBRZRPWSQNX-JSGCOSHPSA-N 1 2 225.295 2.340 10 30 BEEELO COc1cccc2c1C=C(C[C@@H]([NH3+])C#N)CC2 ZINC000584626740 358296180 /nfs/dbraw/zinc/29/61/80/358296180.db2.gz BHKDIJZTSCKQSM-GFCCVEGCSA-N 1 2 228.295 2.266 10 30 BEEELO COc1cccc(N=Cc2[nH+]c[nH]c2C)c1 ZINC000584632068 358314704 /nfs/dbraw/zinc/31/47/04/358314704.db2.gz IVVMRUIPZRTPHB-NTUHNPAUSA-N 1 2 215.256 2.477 10 30 BEEELO CCc1nc(C[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000132443000 358723447 /nfs/dbraw/zinc/72/34/47/358723447.db2.gz IFBZCXINVRQSON-KOLCDFICSA-N 1 2 235.356 2.487 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000612584420 359896872 /nfs/dbraw/zinc/89/68/72/359896872.db2.gz HPLGHTHUJJZZHI-UWVGGRQHSA-N 1 2 247.367 2.414 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192037752 365270390 /nfs/dbraw/zinc/27/03/90/365270390.db2.gz OVMOVNXXOTUMBQ-GHMZBOCLSA-N 1 2 248.301 2.307 10 30 BEEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000404322288 369426762 /nfs/dbraw/zinc/42/67/62/369426762.db2.gz RNVQQYVXBANFQL-MWLCHTKSSA-N 1 2 221.329 2.315 10 30 BEEELO CCCCN(CC)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000019865773 168804485 /nfs/dbraw/zinc/80/44/85/168804485.db2.gz NOYZOPCQULFGKQ-UHFFFAOYSA-N 1 2 235.331 2.408 10 30 BEEELO C#C[C@@H]([NH2+]CC)c1ncccc1Br ZINC000133255360 372012020 /nfs/dbraw/zinc/01/20/20/372012020.db2.gz RFCURCOLVUXLEV-SECBINFHSA-N 1 2 239.116 2.128 10 30 BEEELO CCCN[C@H](C#N)C[NH+]1CCC(C)(CC)CC1 ZINC000062955940 169284378 /nfs/dbraw/zinc/28/43/78/169284378.db2.gz SUTVKVMIDBINPA-CYBMUJFWSA-N 1 2 237.391 2.390 10 30 BEEELO C[C@]([NH3+])(C#N)Cc1ccc(Br)cc1 ZINC000041281416 384185745 /nfs/dbraw/zinc/18/57/45/384185745.db2.gz SDMLEHWFXRFIST-SNVBAGLBSA-N 1 2 239.116 2.233 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1CC#Cc1ccccc1 ZINC000036450444 384239674 /nfs/dbraw/zinc/23/96/74/384239674.db2.gz BMJOSSOBHDPRMA-OKILXGFUSA-N 1 2 229.323 2.147 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000036450444 384239681 /nfs/dbraw/zinc/23/96/81/384239681.db2.gz BMJOSSOBHDPRMA-OKILXGFUSA-N 1 2 229.323 2.147 10 30 BEEELO CO[C@@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000224219502 384308961 /nfs/dbraw/zinc/30/89/61/384308961.db2.gz SHXQHMRJYCKOJH-VIFPVBQESA-N 1 2 219.288 2.017 10 30 BEEELO Cc1cc(N2CCOC(C)(C)C2)c(C#N)c(C)[nH+]1 ZINC000157396428 384423058 /nfs/dbraw/zinc/42/30/58/384423058.db2.gz KPXCFZXZUSIRTD-UHFFFAOYSA-N 1 2 245.326 2.185 10 30 BEEELO COCCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000157431007 384452141 /nfs/dbraw/zinc/45/21/41/384452141.db2.gz RLUIQKPHMMSGIR-UHFFFAOYSA-N 1 2 233.315 2.043 10 30 BEEELO COc1ccc(OC)c([C@H](C)[NH2+]CCC#N)c1 ZINC000020199693 384596563 /nfs/dbraw/zinc/59/65/63/384596563.db2.gz UMCHMNODCNTDEP-JTQLQIEISA-N 1 2 234.299 2.268 10 30 BEEELO C[N@H+](Cc1cccnc1)CC1(C#N)CCC1 ZINC000258965288 384957309 /nfs/dbraw/zinc/95/73/09/384957309.db2.gz SFWVOLJUDMRWBE-UHFFFAOYSA-N 1 2 215.300 2.207 10 30 BEEELO C[N@@H+](Cc1cccnc1)CC1(C#N)CCC1 ZINC000258965288 384957314 /nfs/dbraw/zinc/95/73/14/384957314.db2.gz SFWVOLJUDMRWBE-UHFFFAOYSA-N 1 2 215.300 2.207 10 30 BEEELO C[N@@H+]1C[C@](C#N)(NCc2ccccc2)CC1(C)C ZINC000575520831 387450104 /nfs/dbraw/zinc/45/01/04/387450104.db2.gz IIQVGEWZZMEWBO-HNNXBMFYSA-N 1 2 243.354 2.153 10 30 BEEELO C[N@H+]1C[C@](C#N)(NCc2ccccc2)CC1(C)C ZINC000575520831 387450107 /nfs/dbraw/zinc/45/01/07/387450107.db2.gz IIQVGEWZZMEWBO-HNNXBMFYSA-N 1 2 243.354 2.153 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195437706 387915623 /nfs/dbraw/zinc/91/56/23/387915623.db2.gz OZTKJKAQNXWHEN-LLVKDONJSA-N 1 2 238.356 2.401 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195437706 387915627 /nfs/dbraw/zinc/91/56/27/387915627.db2.gz OZTKJKAQNXWHEN-LLVKDONJSA-N 1 2 238.356 2.401 10 30 BEEELO Cc1cc(N(C)C[C@H]2CCOC2)c(C#N)c(C)[nH+]1 ZINC000301676602 388614132 /nfs/dbraw/zinc/61/41/32/388614132.db2.gz QEZUVOBGLLSKBQ-GFCCVEGCSA-N 1 2 245.326 2.043 10 30 BEEELO COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC#N)C2)cc1 ZINC000076390306 135033191 /nfs/dbraw/zinc/03/31/91/135033191.db2.gz VHJQFFJQUFPYEY-DGCLKSJQSA-N 1 2 230.311 2.397 10 30 BEEELO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC#N)C2)cc1 ZINC000076390306 135033192 /nfs/dbraw/zinc/03/31/92/135033192.db2.gz VHJQFFJQUFPYEY-DGCLKSJQSA-N 1 2 230.311 2.397 10 30 BEEELO Brc1ccc(NC2=[NH+]CCC2)nc1 ZINC000073647436 166097614 /nfs/dbraw/zinc/09/76/14/166097614.db2.gz XWENPJDZTFGOOJ-UHFFFAOYSA-N 1 2 240.104 2.258 10 30 BEEELO C=CC[NH+](CC=C)Cc1ncccc1C(=O)OC ZINC000305979509 166336754 /nfs/dbraw/zinc/33/67/54/166336754.db2.gz RCQDAGQZAGWEPB-UHFFFAOYSA-N 1 2 246.310 2.042 10 30 BEEELO CC(C)[C@@H](C)N(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000036787407 167371597 /nfs/dbraw/zinc/37/15/97/167371597.db2.gz XTENLDKOPPYDJG-SNVBAGLBSA-N 1 2 235.331 2.262 10 30 BEEELO CC[NH2+][C@@]1(C#N)CCc2ccccc2C1 ZINC000037460384 170155144 /nfs/dbraw/zinc/15/51/44/170155144.db2.gz LUCFCTWCKBGBPE-ZDUSSCGKSA-N 1 2 200.285 2.047 10 30 BEEELO COc1ccc(CC[C@@](C)(C#N)[NH+](C)C)cc1 ZINC000037846626 175093319 /nfs/dbraw/zinc/09/33/19/175093319.db2.gz CJMCIHJIPCBHDF-AWEZNQCLSA-N 1 2 232.327 2.472 10 30 BEEELO C[C@H](C#N)CNc1ccc([NH+](C)C)cc1 ZINC000036335604 176553992 /nfs/dbraw/zinc/55/39/92/176553992.db2.gz ICRKCJOPOAWONG-SNVBAGLBSA-N 1 2 203.289 2.324 10 30 BEEELO Cc1cc(C[N@H+](C)CC=O)ccc1Cl ZINC000757157767 582540772 /nfs/dbraw/zinc/54/07/72/582540772.db2.gz MVUDIQBSJIRDBN-UHFFFAOYSA-N 1 2 211.692 2.279 10 30 BEEELO Cc1cc(C[N@@H+](C)CC=O)ccc1Cl ZINC000757157767 582540774 /nfs/dbraw/zinc/54/07/74/582540774.db2.gz MVUDIQBSJIRDBN-UHFFFAOYSA-N 1 2 211.692 2.279 10 30 BEEELO Cc1ccoc1CSC[C@@](C)([NH3+])C#N ZINC000757164664 582545942 /nfs/dbraw/zinc/54/59/42/582545942.db2.gz HXQJUGGTYBQCEB-JTQLQIEISA-N 1 2 210.302 2.062 10 30 BEEELO C=C(Br)C[N@H+](C)C[C@@H]1CCCO1 ZINC000052441905 640646163 /nfs/dbraw/zinc/64/61/63/640646163.db2.gz UWHBPOMNJBNBOK-VIFPVBQESA-N 1 2 234.137 2.006 10 30 BEEELO C=C(Br)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000052441905 640646169 /nfs/dbraw/zinc/64/61/69/640646169.db2.gz UWHBPOMNJBNBOK-VIFPVBQESA-N 1 2 234.137 2.006 10 30 BEEELO N#CCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125742824 136213144 /nfs/dbraw/zinc/21/31/44/136213144.db2.gz KXTJAZWAJVCJJR-LBPRGKRZSA-N 1 2 236.340 2.425 10 30 BEEELO N#CCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125742824 136213145 /nfs/dbraw/zinc/21/31/45/136213145.db2.gz KXTJAZWAJVCJJR-LBPRGKRZSA-N 1 2 236.340 2.425 10 30 BEEELO Cc1cc(NCCC(C)(C)O)c(C#N)c(C)[nH+]1 ZINC000302404062 178157860 /nfs/dbraw/zinc/15/78/60/178157860.db2.gz HJROPHXCKOXBAJ-UHFFFAOYSA-N 1 2 233.315 2.143 10 30 BEEELO Cc1cc(N[C@H]2CCO[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000149793940 178190419 /nfs/dbraw/zinc/19/04/19/178190419.db2.gz LMPANHTUJQFCRN-JQWIXIFHSA-N 1 2 231.299 2.159 10 30 BEEELO Cc1cc2[nH+]cn(CCC/C(N)=N/O)c2cc1C ZINC000019515202 178305672 /nfs/dbraw/zinc/30/56/72/178305672.db2.gz SARNZFCSFRUFON-UHFFFAOYSA-N 1 2 246.314 2.180 10 30 BEEELO N#CC[C@@H]1[NH2+]CC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575433999 398328000 /nfs/dbraw/zinc/32/80/00/398328000.db2.gz CCKSVCODNUOMEW-LBPRGKRZSA-N 1 2 243.266 2.184 10 30 BEEELO C/C(=N\O)C(=O)CCCCCC[N+](C)(C)C ZINC000020159979 342973230 /nfs/dbraw/zinc/97/32/30/342973230.db2.gz LXRWHEKVAISANU-UHFFFAOYSA-O 1 2 229.344 2.062 10 30 BEEELO C#CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189783575 187228826 /nfs/dbraw/zinc/22/88/26/187228826.db2.gz XKKLQBDLSNIENK-NSHDSACASA-N 1 2 206.314 2.222 10 30 BEEELO C#CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189783575 187228827 /nfs/dbraw/zinc/22/88/27/187228827.db2.gz XKKLQBDLSNIENK-NSHDSACASA-N 1 2 206.314 2.222 10 30 BEEELO N#C[C@@]1([NH2+]C2CCCCC2)CCSC1 ZINC000037969255 343363292 /nfs/dbraw/zinc/36/32/92/343363292.db2.gz AAAGOCHRGOGTBE-NSHDSACASA-N 1 2 210.346 2.308 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000334177585 343830275 /nfs/dbraw/zinc/83/02/75/343830275.db2.gz ATLYHIHKJUHYEN-GHMZBOCLSA-N 1 2 248.301 2.307 10 30 BEEELO N#Cc1ccc(N2CCCC[NH2+]2)cc1Cl ZINC000400647683 345368155 /nfs/dbraw/zinc/36/81/55/345368155.db2.gz LPEHVMDOWMGSRQ-UHFFFAOYSA-N 1 2 221.691 2.316 10 30 BEEELO C[C@H]1C[NH2+][C@H](c2ccccc2C#N)S1 ZINC000235690986 345408586 /nfs/dbraw/zinc/40/85/86/345408586.db2.gz GVEPJXJDBXEPHE-KWQFWETISA-N 1 2 204.298 2.282 10 30 BEEELO Cc1ccccc1N[C@@]1(C#N)C[NH+]2CCC1CC2 ZINC000037938079 179306743 /nfs/dbraw/zinc/30/67/43/179306743.db2.gz MORPGIVCPPBSNI-HNNXBMFYSA-N 1 2 241.338 2.395 10 30 BEEELO Cc1[nH+]c[nH]c1CNc1cccc(F)c1C#N ZINC000054794644 180122514 /nfs/dbraw/zinc/12/25/14/180122514.db2.gz MXOPXZIHTVFMBE-UHFFFAOYSA-N 1 2 230.246 2.341 10 30 BEEELO CC(C)NC(=[NH+]N)c1csc(Cl)c1 ZINC000306748674 350934782 /nfs/dbraw/zinc/93/47/82/350934782.db2.gz HEILSRGSQFCZFF-UHFFFAOYSA-N 1 2 217.725 2.020 10 30 BEEELO Cc1nocc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000397880653 350985818 /nfs/dbraw/zinc/98/58/18/350985818.db2.gz MLIJLKSZDQBJQJ-PWSUYJOCSA-N 1 2 219.288 2.155 10 30 BEEELO C=C(Br)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000168273864 351364647 /nfs/dbraw/zinc/36/46/47/351364647.db2.gz BDXRFQJZUHUWKR-BDAKNGLRSA-N 1 2 229.121 2.177 10 30 BEEELO C[C@H](C#N)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000307020537 351424651 /nfs/dbraw/zinc/42/46/51/351424651.db2.gz TVYKYLSHLYBJFK-CHWSQXEVSA-N 1 2 232.327 2.341 10 30 BEEELO N#CCC[NH+]1CCC(c2nccs2)CC1 ZINC000334203778 352797882 /nfs/dbraw/zinc/79/78/82/352797882.db2.gz UTWDIMMYMGDRQY-UHFFFAOYSA-N 1 2 221.329 2.236 10 30 BEEELO N#C[C@@H]([NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000037970105 187941887 /nfs/dbraw/zinc/94/18/87/187941887.db2.gz WNXCICUCHYDHCW-WCQYABFASA-N 1 2 222.332 2.227 10 30 BEEELO C#C[C@@H]([NH2+]C)c1c(F)cccc1Br ZINC000165164795 353165456 /nfs/dbraw/zinc/16/54/56/353165456.db2.gz WQBUZWMVLURENP-SECBINFHSA-N 1 2 242.091 2.482 10 30 BEEELO C=CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126002789 353218915 /nfs/dbraw/zinc/21/89/15/353218915.db2.gz SSRKLPVXACJXBH-NSHDSACASA-N 1 2 209.314 2.307 10 30 BEEELO C=CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126002789 353218918 /nfs/dbraw/zinc/21/89/18/353218918.db2.gz SSRKLPVXACJXBH-NSHDSACASA-N 1 2 209.314 2.307 10 30 BEEELO N#CCNc1ccc([NH+]2CCCC2)cc1 ZINC000057490983 181043226 /nfs/dbraw/zinc/04/32/26/181043226.db2.gz JPFBZLNLNXJCII-UHFFFAOYSA-N 1 2 201.273 2.222 10 30 BEEELO N#CC[C@@H]1[NH2+]CCc2cccc(Cl)c21 ZINC000083661214 181046213 /nfs/dbraw/zinc/04/62/13/181046213.db2.gz NTOHZZLLTYNDEJ-JTQLQIEISA-N 1 2 206.676 2.440 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1ccccc1F ZINC000062453339 181055323 /nfs/dbraw/zinc/05/53/23/181055323.db2.gz WKGXYCNCIJJQKT-QMMMGPOBSA-N 1 2 210.277 2.159 10 30 BEEELO N#C[C@@H]([NH3+])CSc1nc2ccccc2s1 ZINC000045333666 181056289 /nfs/dbraw/zinc/05/62/89/181056289.db2.gz WYCSXPMBKLJYOE-SSDOTTSWSA-N 1 2 235.337 2.239 10 30 BEEELO N#C[C@@H]([NH3+])COc1cccc(Cl)c1Cl ZINC000019666069 181056317 /nfs/dbraw/zinc/05/63/17/181056317.db2.gz QGZRMSMNAMTKQP-ZCFIWIBFSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@@H]([NH3+])COc1ccc(Cl)cc1Cl ZINC000019666063 181056604 /nfs/dbraw/zinc/05/66/04/181056604.db2.gz GKWNCLSFINWHNH-SSDOTTSWSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH2+]C1CCCCCC1)[C@@H]1CCOC1 ZINC000037970102 181065616 /nfs/dbraw/zinc/06/56/16/181065616.db2.gz WNXCICUCHYDHCW-YPMHNXCESA-N 1 2 222.332 2.227 10 30 BEEELO N#Cc1c(F)cccc1NCc1c[nH+]c[nH]1 ZINC000054764134 181075801 /nfs/dbraw/zinc/07/58/01/181075801.db2.gz TUKUYISEIWJNCP-UHFFFAOYSA-N 1 2 216.219 2.033 10 30 BEEELO N#Cc1c(F)cccc1NCc1c[nH]c[nH+]1 ZINC000054764134 181075802 /nfs/dbraw/zinc/07/58/02/181075802.db2.gz TUKUYISEIWJNCP-UHFFFAOYSA-N 1 2 216.219 2.033 10 30 BEEELO N#Cc1c(F)cccc1Nc1ccc(N)c[nH+]1 ZINC000036157267 181077724 /nfs/dbraw/zinc/07/77/24/181077724.db2.gz XVKXXHPHTLQDCB-UHFFFAOYSA-N 1 2 228.230 2.418 10 30 BEEELO Cc1cc(N[C@@H]2C[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000087975097 356384708 /nfs/dbraw/zinc/38/47/08/356384708.db2.gz QCZRFLILNFFKLY-WRWORJQWSA-N 1 2 201.273 2.390 10 30 BEEELO CC1(C)CCC[N@@H+](C[C@@H]2CCCO2)[C@@H]1C#N ZINC000336341711 134144137 /nfs/dbraw/zinc/14/41/37/134144137.db2.gz VTHKGCOTEHWRHE-NWDGAFQWSA-N 1 2 222.332 2.180 10 30 BEEELO C=C(Br)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000168273966 356708630 /nfs/dbraw/zinc/70/86/30/356708630.db2.gz BDXRFQJZUHUWKR-DTWKUNHWSA-N 1 2 229.121 2.177 10 30 BEEELO CCc1cnc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000132443654 358723363 /nfs/dbraw/zinc/72/33/63/358723363.db2.gz AKBIMBBVDFWJGD-KOLCDFICSA-N 1 2 235.356 2.487 10 30 BEEELO Cc1cccnc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000070908715 359064936 /nfs/dbraw/zinc/06/49/36/359064936.db2.gz HVYOSIHDHVDDIM-NWDGAFQWSA-N 1 2 215.300 2.172 10 30 BEEELO C[C@H](CC#N)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874885 360091499 /nfs/dbraw/zinc/09/14/99/360091499.db2.gz NIIUARUVBAQQBR-YPMHNXCESA-N 1 2 230.311 2.224 10 30 BEEELO C[C@H](CC#N)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874885 360091505 /nfs/dbraw/zinc/09/15/05/360091505.db2.gz NIIUARUVBAQQBR-YPMHNXCESA-N 1 2 230.311 2.224 10 30 BEEELO CCCCN(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000019865753 168785958 /nfs/dbraw/zinc/78/59/58/168785958.db2.gz HCPVZBSJJFARNI-UHFFFAOYSA-N 1 2 221.304 2.017 10 30 BEEELO Cc1cc(N(C)C2CCOCC2)c(C#N)c(C)[nH+]1 ZINC000157396709 384423808 /nfs/dbraw/zinc/42/38/08/384423808.db2.gz IKPKHVWDHRGFDU-UHFFFAOYSA-N 1 2 245.326 2.185 10 30 BEEELO CC[C@@H](CCO)Nc1cc(C)[nH+]c(C)c1C#N ZINC000158082808 384848758 /nfs/dbraw/zinc/84/87/58/384848758.db2.gz ABGIOYHKSHYVLA-NSHDSACASA-N 1 2 233.315 2.143 10 30 BEEELO CC#CC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119173438 385622194 /nfs/dbraw/zinc/62/21/94/385622194.db2.gz NZVFQCFSLCFZRU-HNNXBMFYSA-N 1 2 245.322 2.092 10 30 BEEELO CC#CC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119173438 385622201 /nfs/dbraw/zinc/62/22/01/385622201.db2.gz NZVFQCFSLCFZRU-HNNXBMFYSA-N 1 2 245.322 2.092 10 30 BEEELO Cc1csc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000054825972 385665212 /nfs/dbraw/zinc/66/52/12/385665212.db2.gz APWXALLCTNYXFG-UWVGGRQHSA-N 1 2 221.329 2.233 10 30 BEEELO CC1(C)CSC(NCC(F)(F)F)=[NH+]1 ZINC000035294846 387071454 /nfs/dbraw/zinc/07/14/54/387071454.db2.gz GTMYCAONMWFLQA-UHFFFAOYSA-N 1 2 212.240 2.020 10 30 BEEELO N#C[C@]1([NH3+])CCc2ccc(Br)cc21 ZINC000260156806 387305572 /nfs/dbraw/zinc/30/55/72/387305572.db2.gz DNPFLBOJQASLCD-SNVBAGLBSA-N 1 2 237.100 2.073 10 30 BEEELO C[N@@H+]1C[C@@](C#N)(NCc2ccccc2)CC1(C)C ZINC000575520832 387450342 /nfs/dbraw/zinc/45/03/42/387450342.db2.gz IIQVGEWZZMEWBO-OAHLLOKOSA-N 1 2 243.354 2.153 10 30 BEEELO C[N@H+]1C[C@@](C#N)(NCc2ccccc2)CC1(C)C ZINC000575520832 387450345 /nfs/dbraw/zinc/45/03/45/387450345.db2.gz IIQVGEWZZMEWBO-OAHLLOKOSA-N 1 2 243.354 2.153 10 30 BEEELO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000164661727 388242138 /nfs/dbraw/zinc/24/21/38/388242138.db2.gz IXDRPKQSIUZYIX-QWRGUYRKSA-N 1 2 204.273 2.370 10 30 BEEELO Cc1cccc(N2CC[NH+](C[C@@H](C)C#N)CC2)c1 ZINC000031945833 132334677 /nfs/dbraw/zinc/33/46/77/132334677.db2.gz QMIRBXNURUJNEB-AWEZNQCLSA-N 1 2 243.354 2.277 10 30 BEEELO C[C@H](C#N)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031945822 132334749 /nfs/dbraw/zinc/33/47/49/132334749.db2.gz MUGSFSHJHBWNOL-GFCCVEGCSA-N 1 2 247.317 2.107 10 30 BEEELO CC1(C)CCC[N@H+](C[C@@H]2CCCO2)[C@@H]1C#N ZINC000336341711 134144136 /nfs/dbraw/zinc/14/41/36/134144136.db2.gz VTHKGCOTEHWRHE-NWDGAFQWSA-N 1 2 222.332 2.180 10 30 BEEELO Cc1cc(N[C@H]2C[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000087975098 135514508 /nfs/dbraw/zinc/51/45/08/135514508.db2.gz QCZRFLILNFFKLY-CPCISQLKSA-N 1 2 201.273 2.390 10 30 BEEELO C#CC[NH2+][C@@](CC)(C[C@@H](C)CC)C(=O)OCC ZINC000051965306 166190774 /nfs/dbraw/zinc/19/07/74/166190774.db2.gz VVHMRMBLDPVXSE-JSGCOSHPSA-N 1 2 239.359 2.357 10 30 BEEELO CC(C)[NH2+][C@@H](C#N)CCN1CCc2ccccc21 ZINC000062368381 167130808 /nfs/dbraw/zinc/13/08/08/167130808.db2.gz VPYCEVXUJWINEJ-CQSZACIVSA-N 1 2 243.354 2.329 10 30 BEEELO CC1CCC(OCCC/C(N)=[NH+]/O)CC1 ZINC000019502782 168168098 /nfs/dbraw/zinc/16/80/98/168168098.db2.gz BXWAJFNMIYLIGG-UHFFFAOYSA-N 1 2 214.309 2.108 10 30 BEEELO CN1CC[N@@H+]([C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000104138446 173092267 /nfs/dbraw/zinc/09/22/67/173092267.db2.gz WEZMETUCPFZJGE-CHWSQXEVSA-N 1 2 235.375 2.095 10 30 BEEELO CN1CC[N@H+]([C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000104138446 173092270 /nfs/dbraw/zinc/09/22/70/173092270.db2.gz WEZMETUCPFZJGE-CHWSQXEVSA-N 1 2 235.375 2.095 10 30 BEEELO COc1ccc([NH2+]C[C@@H](C)C#N)c(OC)c1 ZINC000032013634 175152018 /nfs/dbraw/zinc/15/20/18/175152018.db2.gz NFTAYFDYOFNYGZ-VIFPVBQESA-N 1 2 220.272 2.275 10 30 BEEELO COc1ccc(SCCC/C(N)=[NH+]/O)cc1 ZINC000019847832 175175294 /nfs/dbraw/zinc/17/52/94/175175294.db2.gz MCURXANVTXCZQV-UHFFFAOYSA-N 1 2 240.328 2.314 10 30 BEEELO COc1ccc([C@](C)([NH3+])C#N)cc1Cl ZINC000057496396 175199807 /nfs/dbraw/zinc/19/98/07/175199807.db2.gz HNWIQUYDBWZDNQ-SNVBAGLBSA-N 1 2 210.664 2.046 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000151493889 176345853 /nfs/dbraw/zinc/34/58/53/176345853.db2.gz FZDNRPHRNJAQCM-CHWSQXEVSA-N 1 2 247.313 2.286 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000120776601 176346719 /nfs/dbraw/zinc/34/67/19/176346719.db2.gz XKZVNIURFIMJKD-GHMZBOCLSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@]([NH3+])(C#N)CCc1ccc(OC(F)F)cc1 ZINC000022165840 177443006 /nfs/dbraw/zinc/44/30/06/177443006.db2.gz CKOXYUHTEFJFNI-GFCCVEGCSA-N 1 2 240.253 2.462 10 30 BEEELO C=CC[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000121598275 324019087 /nfs/dbraw/zinc/01/90/87/324019087.db2.gz ORIMSONVDVRCJI-UHFFFAOYSA-N 1 2 234.343 2.425 10 30 BEEELO C=CC[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000121598275 324019090 /nfs/dbraw/zinc/01/90/90/324019090.db2.gz ORIMSONVDVRCJI-UHFFFAOYSA-N 1 2 234.343 2.425 10 30 BEEELO Cc1cn(-c2ccc(C#N)cc2F)c[nH+]1 ZINC000116229828 324185450 /nfs/dbraw/zinc/18/54/50/324185450.db2.gz JTBHDLBJJJQQHK-UHFFFAOYSA-N 1 2 201.204 2.192 10 30 BEEELO C[C@H](CC#N)[NH2+]c1ccc2c(c1)CCN2C ZINC000757134111 582510709 /nfs/dbraw/zinc/51/07/09/582510709.db2.gz WESMPBSLYQNAAS-SNVBAGLBSA-N 1 2 215.300 2.393 10 30 BEEELO Cc1ccoc1CS[C@H](C)[C@H]([NH3+])C#N ZINC000757163148 582545613 /nfs/dbraw/zinc/54/56/13/582545613.db2.gz CLIBKIUMPFIQHZ-RKDXNWHRSA-N 1 2 210.302 2.061 10 30 BEEELO Cc1ccoc1CS[C@@H](C)[C@H]([NH3+])C#N ZINC000757163141 582545617 /nfs/dbraw/zinc/54/56/17/582545617.db2.gz CLIBKIUMPFIQHZ-DTWKUNHWSA-N 1 2 210.302 2.061 10 30 BEEELO C=CC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121388916 534846836 /nfs/dbraw/zinc/84/68/36/534846836.db2.gz KCIGKUBKQNZHET-LLVKDONJSA-N 1 2 225.332 2.369 10 30 BEEELO C=CC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121388916 534846843 /nfs/dbraw/zinc/84/68/43/534846843.db2.gz KCIGKUBKQNZHET-LLVKDONJSA-N 1 2 225.332 2.369 10 30 BEEELO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328806561 582687354 /nfs/dbraw/zinc/68/73/54/582687354.db2.gz DHKOHTYADYHRPQ-ZYHUDNBSSA-N 1 2 246.314 2.001 10 30 BEEELO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C(C)(C)CO1 ZINC000097139437 711448824 /nfs/dbraw/zinc/44/88/24/711448824.db2.gz GKPVBCRHQMYHPE-JTQLQIEISA-N 1 2 234.299 2.151 10 30 BEEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C(C)(C)CO1 ZINC000097139437 711448827 /nfs/dbraw/zinc/44/88/27/711448827.db2.gz GKPVBCRHQMYHPE-JTQLQIEISA-N 1 2 234.299 2.151 10 30 BEEELO C[N@@H+](CCC#N)CCSC(F)(F)F ZINC000123450119 712693805 /nfs/dbraw/zinc/69/38/05/712693805.db2.gz PPQRGXYKRASVDD-UHFFFAOYSA-N 1 2 212.240 2.085 10 30 BEEELO C[N@H+](CCC#N)CCSC(F)(F)F ZINC000123450119 712693806 /nfs/dbraw/zinc/69/38/06/712693806.db2.gz PPQRGXYKRASVDD-UHFFFAOYSA-N 1 2 212.240 2.085 10 30 BEEELO Cc1cc(NC[C@@H](O)CC(C)C)c(C#N)c(C)[nH+]1 ZINC000227593453 178164289 /nfs/dbraw/zinc/16/42/89/178164289.db2.gz IECNYSQLOJQMOO-LBPRGKRZSA-N 1 2 247.342 2.389 10 30 BEEELO Cc1cc(NC[C@H](O)C(C)(C)C)c(C#N)c(C)[nH+]1 ZINC000301768422 178169259 /nfs/dbraw/zinc/16/92/59/178169259.db2.gz IGCCLPVRGNWRIK-ZDUSSCGKSA-N 1 2 247.342 2.389 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1CC#Cc1ccccc1 ZINC000137159940 136229079 /nfs/dbraw/zinc/22/90/79/136229079.db2.gz BMJOSSOBHDPRMA-KBPBESRZSA-N 1 2 229.323 2.147 10 30 BEEELO Cc1cc2[nH+]cn([C@H](C)C/C(N)=N/O)c2cc1C ZINC000048258112 178305795 /nfs/dbraw/zinc/30/57/95/178305795.db2.gz ACANECNJJMASRK-SNVBAGLBSA-N 1 2 246.314 2.351 10 30 BEEELO Cc1cc2[nH+]cn([C@@H](C)C/C(N)=N/O)c2cc1C ZINC000048258110 178304795 /nfs/dbraw/zinc/30/47/95/178304795.db2.gz ACANECNJJMASRK-JTQLQIEISA-N 1 2 246.314 2.351 10 30 BEEELO C#C[C@H]([NH2+]C)c1c(F)cccc1Br ZINC000165164677 342879116 /nfs/dbraw/zinc/87/91/16/342879116.db2.gz WQBUZWMVLURENP-VIFPVBQESA-N 1 2 242.091 2.482 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171666216 187226987 /nfs/dbraw/zinc/22/69/87/187226987.db2.gz VRZHTQDPIXEBCU-JTQLQIEISA-N 1 2 224.329 2.093 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171666216 187226989 /nfs/dbraw/zinc/22/69/89/187226989.db2.gz VRZHTQDPIXEBCU-JTQLQIEISA-N 1 2 224.329 2.093 10 30 BEEELO C[C@@H](C#N)C[N@@H+]1CCc2ccccc2C1 ZINC000031945870 343226606 /nfs/dbraw/zinc/22/66/06/343226606.db2.gz ZRTISBCGBZHVPY-NSHDSACASA-N 1 2 200.285 2.204 10 30 BEEELO C[C@@H](C#N)C[N@H+]1CCc2ccccc2C1 ZINC000031945870 343226607 /nfs/dbraw/zinc/22/66/07/343226607.db2.gz ZRTISBCGBZHVPY-NSHDSACASA-N 1 2 200.285 2.204 10 30 BEEELO C[N@H+](Cc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000036771269 343323904 /nfs/dbraw/zinc/32/39/04/343323904.db2.gz BOAVRSSRJUBWBV-CHWSQXEVSA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000036771269 343323907 /nfs/dbraw/zinc/32/39/07/343323907.db2.gz BOAVRSSRJUBWBV-CHWSQXEVSA-N 1 2 215.300 2.206 10 30 BEEELO CC(=O)Nc1ccc(NC2=[NH+]C[C@H](C)S2)cc1 ZINC000035287069 187258188 /nfs/dbraw/zinc/25/81/88/187258188.db2.gz UVWHTGKAHPDHFF-QMMMGPOBSA-N 1 2 249.339 2.357 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000054826165 136372932 /nfs/dbraw/zinc/37/29/32/136372932.db2.gz WQOCETQJOSQKKM-ZYHUDNBSSA-N 1 2 244.294 2.197 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054828654 136373145 /nfs/dbraw/zinc/37/31/45/136373145.db2.gz OWZIPAVHVVZYRO-ZYHUDNBSSA-N 1 2 245.282 2.377 10 30 BEEELO NC(=NO)c1[nH+]c(C2CCCC2)n2ccccc12 ZINC000409437602 343842159 /nfs/dbraw/zinc/84/21/59/343842159.db2.gz AILAIEFUMMOFMR-UHFFFAOYSA-N 1 2 244.298 2.086 10 30 BEEELO CON=CCSc1cccn2cc[nH+]c12 ZINC000257354150 344106361 /nfs/dbraw/zinc/10/63/61/344106361.db2.gz VYZRXSLIHPWGNL-UHFFFAOYSA-N 1 2 221.285 2.059 10 30 BEEELO C[C@@H]1SCC[C@@]1(C#N)[NH+]1CCCCC1 ZINC000235328652 344885337 /nfs/dbraw/zinc/88/53/37/344885337.db2.gz PXKIJAXHGQUHFF-QWRGUYRKSA-N 1 2 210.346 2.260 10 30 BEEELO C[C@H]1SCC[C@@]1(C#N)[NH+]1CCCCC1 ZINC000235617668 344955894 /nfs/dbraw/zinc/95/58/94/344955894.db2.gz PXKIJAXHGQUHFF-MNOVXSKESA-N 1 2 210.346 2.260 10 30 BEEELO C[C@H]1SCC[C@@]1(C#N)[NH2+]C1CCCC1 ZINC000235672159 345006673 /nfs/dbraw/zinc/00/66/73/345006673.db2.gz DZHCJMREFURBIG-KOLCDFICSA-N 1 2 210.346 2.306 10 30 BEEELO Cc1ccc(OCCC/C(N)=[NH+]/O)cc1C ZINC000019480309 178811365 /nfs/dbraw/zinc/81/13/65/178811365.db2.gz KJPFRDPCBSWJKH-UHFFFAOYSA-N 1 2 222.288 2.209 10 30 BEEELO C[C@H](c1cccc2ncccc21)[C@H]([NH3+])C#N ZINC000142214996 345862555 /nfs/dbraw/zinc/86/25/55/345862555.db2.gz UPYLDIMOPBXFJE-BXKDBHETSA-N 1 2 211.268 2.189 10 30 BEEELO N#CCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000020199998 187315086 /nfs/dbraw/zinc/31/50/86/187315086.db2.gz GIYJJAUWFLRRKT-LLVKDONJSA-N 1 2 202.257 2.013 10 30 BEEELO N#C[C@@]1([NH3+])CCc2c1cccc2Br ZINC000236336944 346226430 /nfs/dbraw/zinc/22/64/30/346226430.db2.gz XFSXEOBTHQUPQI-JTQLQIEISA-N 1 2 237.100 2.073 10 30 BEEELO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000054825969 187318107 /nfs/dbraw/zinc/31/81/07/187318107.db2.gz APWXALLCTNYXFG-NXEZZACHSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000054829144 179101857 /nfs/dbraw/zinc/10/18/57/179101857.db2.gz NFARZPDPJUAWSB-AAEUAGOBSA-N 1 2 215.300 2.172 10 30 BEEELO Cc1cccc(SCC[C@@H]([NH3+])C#N)c1 ZINC000062457241 179177728 /nfs/dbraw/zinc/17/77/28/179177728.db2.gz JZIRALYMVHQZHE-SNVBAGLBSA-N 1 2 206.314 2.328 10 30 BEEELO Cc1nc([C@@H](C)[NH2+]C[C@H](C)C#N)cs1 ZINC000054180880 180037880 /nfs/dbraw/zinc/03/78/80/180037880.db2.gz QUXNUKKKQSCVEZ-HTQZYQBOSA-N 1 2 209.318 2.262 10 30 BEEELO N#C[C@]1([NH+]2CCCCCC2)CCSC1 ZINC000038086110 350304203 /nfs/dbraw/zinc/30/42/03/350304203.db2.gz VWDISYADPMGMCE-LLVKDONJSA-N 1 2 210.346 2.262 10 30 BEEELO Cc1cnc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000334508883 350674709 /nfs/dbraw/zinc/67/47/09/350674709.db2.gz LDQREVXODRJMSV-UWVGGRQHSA-N 1 2 221.329 2.233 10 30 BEEELO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674765 350823738 /nfs/dbraw/zinc/82/37/38/350823738.db2.gz RCFULLBMPNJIFF-DZGCQCFKSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674765 350823741 /nfs/dbraw/zinc/82/37/41/350823741.db2.gz RCFULLBMPNJIFF-DZGCQCFKSA-N 1 2 243.354 2.105 10 30 BEEELO Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2C#N)o1 ZINC000397939549 350993818 /nfs/dbraw/zinc/99/38/18/350993818.db2.gz ZAIJTTYHQUCHIF-PWSUYJOCSA-N 1 2 219.288 2.155 10 30 BEEELO N#CCc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000020253698 187936445 /nfs/dbraw/zinc/93/64/45/187936445.db2.gz PDJNLQDMVFFGRT-UHFFFAOYSA-N 1 2 227.267 2.028 10 30 BEEELO N#CCC[N@@H+](Cc1cc(F)ccc1N)C1CC1 ZINC000042530971 188293471 /nfs/dbraw/zinc/29/34/71/188293471.db2.gz WWPLCQLIFDPQBA-UHFFFAOYSA-N 1 2 233.290 2.286 10 30 BEEELO N#CCC[N@H+](Cc1cc(F)ccc1N)C1CC1 ZINC000042530971 188293473 /nfs/dbraw/zinc/29/34/73/188293473.db2.gz WWPLCQLIFDPQBA-UHFFFAOYSA-N 1 2 233.290 2.286 10 30 BEEELO N#C[C@@H]([NH2+]C1CCCCC1)C1CCOCC1 ZINC000052178929 188299607 /nfs/dbraw/zinc/29/96/07/188299607.db2.gz PUHOBPITKDHFOB-CYBMUJFWSA-N 1 2 222.332 2.227 10 30 BEEELO N#CCOc1ccc([NH2+]C[C@H]2CCOC2)cc1 ZINC000020126538 181044299 /nfs/dbraw/zinc/04/42/99/181044299.db2.gz DDEDGNIMDBFTCM-LLVKDONJSA-N 1 2 232.283 2.037 10 30 BEEELO N#CC[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000055015814 181045977 /nfs/dbraw/zinc/04/59/77/181045977.db2.gz MWKNGRJYOADZTQ-KGLIPLIRSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@@]1(Nc2ccccc2)C[NH+]2CCC1CC2 ZINC000037935401 181062436 /nfs/dbraw/zinc/06/24/36/181062436.db2.gz PYYPCBHVPPCIMJ-CQSZACIVSA-N 1 2 227.311 2.086 10 30 BEEELO N#C[C@@]1(Nc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000061990862 181063129 /nfs/dbraw/zinc/06/31/29/181063129.db2.gz AJKMHIGUCMMPJZ-AWEZNQCLSA-N 1 2 227.311 2.229 10 30 BEEELO N#C[C@@]1(Nc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000061990862 181063130 /nfs/dbraw/zinc/06/31/30/181063130.db2.gz AJKMHIGUCMMPJZ-AWEZNQCLSA-N 1 2 227.311 2.229 10 30 BEEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000054824442 181067659 /nfs/dbraw/zinc/06/76/59/181067659.db2.gz CMYDMUKMHDRKHA-PWSUYJOCSA-N 1 2 204.273 2.452 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+][C@H]1COc2cc(O)ccc21 ZINC000061891440 181070019 /nfs/dbraw/zinc/07/00/19/181070019.db2.gz COYCQQZCAUBNQG-WQAKAFBOSA-N 1 2 244.294 2.108 10 30 BEEELO N/C(CCCCOc1ccc2c(c1)CCC2)=[NH+]/O ZINC000049580441 181182605 /nfs/dbraw/zinc/18/26/05/181182605.db2.gz FWGVTNCQNXKHEC-UHFFFAOYSA-N 1 2 248.326 2.471 10 30 BEEELO Cc1cc(Nc2cnn(C)c2)c(C#N)c(C)[nH+]1 ZINC000212675004 357511697 /nfs/dbraw/zinc/51/16/97/357511697.db2.gz UCQJSPRKJVVYBL-UHFFFAOYSA-N 1 2 227.271 2.047 10 30 BEEELO CCC#C[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000309157503 491145733 /nfs/dbraw/zinc/14/57/33/491145733.db2.gz XSXWCKCJAZJTFL-MWLCHTKSSA-N 1 2 206.289 2.436 10 30 BEEELO CC(C)n1cncc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000090209193 360065586 /nfs/dbraw/zinc/06/55/86/360065586.db2.gz HHSBFRFEMXFNHC-YPMHNXCESA-N 1 2 232.331 2.246 10 30 BEEELO C[C@H](C#N)C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874864 360091676 /nfs/dbraw/zinc/09/16/76/360091676.db2.gz XCRLRNJEOOAAGY-YPMHNXCESA-N 1 2 230.311 2.082 10 30 BEEELO C[C@H](C#N)C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874864 360091680 /nfs/dbraw/zinc/09/16/80/360091680.db2.gz XCRLRNJEOOAAGY-YPMHNXCESA-N 1 2 230.311 2.082 10 30 BEEELO COc1ccc2[nH]c(CCC#N)[nH+]c2c1 ZINC000238363393 360949543 /nfs/dbraw/zinc/94/95/43/360949543.db2.gz KNRYHMUIZJKQGP-UHFFFAOYSA-N 1 2 201.229 2.028 10 30 BEEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000404322289 369426781 /nfs/dbraw/zinc/42/67/81/369426781.db2.gz RNVQQYVXBANFQL-ONGXEEELSA-N 1 2 221.329 2.315 10 30 BEEELO C[C@@]1(/[N+](O)=C/c2ccco2)CCCCC1=O ZINC000225397172 370517748 /nfs/dbraw/zinc/51/77/48/370517748.db2.gz HUDRFSVIHYRDSF-FNWMBBJUSA-N 1 2 222.264 2.002 10 30 BEEELO Cc1cc(NC[C@H]2CCCO2)c(C#N)c(C)[nH+]1 ZINC000156535197 371442452 /nfs/dbraw/zinc/44/24/52/371442452.db2.gz GGQRNXPRXZCRGG-LLVKDONJSA-N 1 2 231.299 2.161 10 30 BEEELO Cc1cc(N[C@@H]2CCCOC2)c(C#N)c(C)[nH+]1 ZINC000156581735 371457710 /nfs/dbraw/zinc/45/77/10/371457710.db2.gz CWWNUUUVIVSFSJ-LLVKDONJSA-N 1 2 231.299 2.161 10 30 BEEELO C=C[C@H]([NH2+]C)c1nscc1Br ZINC000404742799 372111478 /nfs/dbraw/zinc/11/14/78/372111478.db2.gz QDZUECWAOSYOAT-LURJTMIESA-N 1 2 233.134 2.352 10 30 BEEELO CCCN[C@@H](C#N)C[NH+]1CCC(C)(CC)CC1 ZINC000062955941 169273959 /nfs/dbraw/zinc/27/39/59/169273959.db2.gz SUTVKVMIDBINPA-ZDUSSCGKSA-N 1 2 237.391 2.390 10 30 BEEELO Cc1cc[nH+]cc1N[C@@H]1CC[C@H](C#N)C1 ZINC000335599759 384370492 /nfs/dbraw/zinc/37/04/92/384370492.db2.gz OQYJHVNYJCDREX-WDEREUQCSA-N 1 2 201.273 2.494 10 30 BEEELO CC[C@@H](O)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000158085677 384791684 /nfs/dbraw/zinc/79/16/84/384791684.db2.gz PFZLFJUPQLPYCT-LLVKDONJSA-N 1 2 233.315 2.143 10 30 BEEELO C[C@]([NH3+])(C#N)c1cccc(C(F)(F)F)c1 ZINC000022175592 385095290 /nfs/dbraw/zinc/09/52/90/385095290.db2.gz QKMQKDXDZBHTHP-VIFPVBQESA-N 1 2 214.190 2.403 10 30 BEEELO N#C[C@@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000238654419 385260943 /nfs/dbraw/zinc/26/09/43/385260943.db2.gz RNCAHUKHESQHTH-NSHDSACASA-N 1 2 216.259 2.396 10 30 BEEELO COc1ccccc1[C@H](C)[NH2+]CCC#N ZINC000020199546 385422470 /nfs/dbraw/zinc/42/24/70/385422470.db2.gz FZCLPDILZVYDBT-JTQLQIEISA-N 1 2 204.273 2.259 10 30 BEEELO CCOCCNc1cc(C)[nH+]c(C)c1C#N ZINC000087969413 387342715 /nfs/dbraw/zinc/34/27/15/387342715.db2.gz DJXVMLYZMIGVIK-UHFFFAOYSA-N 1 2 219.288 2.019 10 30 BEEELO Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000128648246 132232975 /nfs/dbraw/zinc/23/29/75/132232975.db2.gz SNLKUGSIKKPGCK-PHIMTYICSA-N 1 2 245.326 2.184 10 30 BEEELO C[C@@H]1C[C@H](C)CN(c2ccc(/C(N)=[NH+]/O)cc2)C1 ZINC000019865814 132327871 /nfs/dbraw/zinc/32/78/71/132327871.db2.gz GAEIMAJFMSOREW-PHIMTYICSA-N 1 2 247.342 2.263 10 30 BEEELO C[C@H]1CCCN(c2ccc(/C(N)=[NH+]/O)cc2)C1 ZINC000019865669 132328023 /nfs/dbraw/zinc/32/80/23/132328023.db2.gz IBQSCDLZHXJRJY-JTQLQIEISA-N 1 2 233.315 2.017 10 30 BEEELO N/C(CCCCN1CCCc2ccccc21)=[NH+]/O ZINC000049580139 132356228 /nfs/dbraw/zinc/35/62/28/132356228.db2.gz JKHVOCHDGGRXRN-UHFFFAOYSA-N 1 2 247.342 2.356 10 30 BEEELO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328806559 135465337 /nfs/dbraw/zinc/46/53/37/135465337.db2.gz DHKOHTYADYHRPQ-CMPLNLGQSA-N 1 2 246.314 2.001 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000381896071 397815911 /nfs/dbraw/zinc/81/59/11/397815911.db2.gz STWVDAJMHSTMGF-QWRGUYRKSA-N 1 2 219.288 2.073 10 30 BEEELO C#CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000039325647 166193906 /nfs/dbraw/zinc/19/39/06/166193906.db2.gz WWBMUFRFOKDOPX-UHFFFAOYSA-N 1 2 200.163 2.146 10 30 BEEELO CC[NH2+][C@]1(C#N)CCc2ccccc2C1 ZINC000037460383 170170088 /nfs/dbraw/zinc/17/00/88/170170088.db2.gz LUCFCTWCKBGBPE-CYBMUJFWSA-N 1 2 200.285 2.047 10 30 BEEELO COc1cccc(NC2=[NH+]CCCS2)c1 ZINC000004923208 175241605 /nfs/dbraw/zinc/24/16/05/175241605.db2.gz TVPCYEHKVSYVIZ-UHFFFAOYSA-N 1 2 222.313 2.409 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000121424608 176347452 /nfs/dbraw/zinc/34/74/52/176347452.db2.gz KDWMREKUSLIXTA-GHMZBOCLSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000151493805 177298921 /nfs/dbraw/zinc/29/89/21/177298921.db2.gz FZDNRPHRNJAQCM-STQMWFEESA-N 1 2 247.313 2.286 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000334177596 490243712 /nfs/dbraw/zinc/24/37/12/490243712.db2.gz ATLYHIHKJUHYEN-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000334177596 490243719 /nfs/dbraw/zinc/24/37/19/490243719.db2.gz ATLYHIHKJUHYEN-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO CCC#C[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309157504 491145755 /nfs/dbraw/zinc/14/57/55/491145755.db2.gz XSXWCKCJAZJTFL-ONGXEEELSA-N 1 2 206.289 2.436 10 30 BEEELO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248818422 534441777 /nfs/dbraw/zinc/44/17/77/534441777.db2.gz IVMGXPZBCWBTMK-DCAQKATOSA-N 1 2 243.734 2.012 10 30 BEEELO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248818422 534441781 /nfs/dbraw/zinc/44/17/81/534441781.db2.gz IVMGXPZBCWBTMK-DCAQKATOSA-N 1 2 243.734 2.012 10 30 BEEELO N#C[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757168530 586432640 /nfs/dbraw/zinc/43/26/40/586432640.db2.gz ASNGMYPMMUIFSK-ZCFIWIBFSA-N 1 2 216.693 2.017 10 30 BEEELO C=CCCOC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000124209488 589963998 /nfs/dbraw/zinc/96/39/98/589963998.db2.gz PEQUXUXCDYCJLO-UHFFFAOYSA-N 1 2 243.266 2.000 10 30 BEEELO C=C(Cl)C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000134992097 591967770 /nfs/dbraw/zinc/96/77/70/591967770.db2.gz FDYHGJJGRCRTQV-UHFFFAOYSA-N 1 2 248.717 2.109 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000299928298 634403120 /nfs/dbraw/zinc/40/31/20/634403120.db2.gz FRDOLONHHXKVGX-AVGNSLFASA-N 1 2 227.311 2.351 10 30 BEEELO C=C(Br)C[N@H+](C)C[C@H]1CCCO1 ZINC000052441907 640644428 /nfs/dbraw/zinc/64/44/28/640644428.db2.gz UWHBPOMNJBNBOK-SECBINFHSA-N 1 2 234.137 2.006 10 30 BEEELO C=C(Br)C[N@@H+](C)C[C@H]1CCCO1 ZINC000052441907 640644432 /nfs/dbraw/zinc/64/44/32/640644432.db2.gz UWHBPOMNJBNBOK-SECBINFHSA-N 1 2 234.137 2.006 10 30 BEEELO CC#CC[N@H+](Cc1nnc(C)o1)C(C)(C)C ZINC000131422106 1167137446 /nfs/dbraw/zinc/13/74/46/1167137446.db2.gz ZLVNMZYWRYTTOX-UHFFFAOYSA-N 1 2 221.304 2.002 10 30 BEEELO CC#CC[N@@H+](Cc1nnc(C)o1)C(C)(C)C ZINC000131422106 1167137454 /nfs/dbraw/zinc/13/74/54/1167137454.db2.gz ZLVNMZYWRYTTOX-UHFFFAOYSA-N 1 2 221.304 2.002 10 30 BEEELO Cc1cn2c(nc(C)c2C[NH2+]CCC#N)s1 ZINC000036822508 1170919656 /nfs/dbraw/zinc/91/96/56/1170919656.db2.gz PUFPNOWHRNMTSW-UHFFFAOYSA-N 1 2 234.328 2.016 10 30 BEEELO Cc1cc([NH3+])ccc1N(C)C[C@H](C)C#N ZINC000042455135 178105231 /nfs/dbraw/zinc/10/52/31/178105231.db2.gz WNIKZSBBHHEGRL-SECBINFHSA-N 1 2 203.289 2.173 10 30 BEEELO Cc1cc(NCC(C)(C)CCO)c(C#N)c(C)[nH+]1 ZINC000227594096 178157397 /nfs/dbraw/zinc/15/73/97/178157397.db2.gz SIUHVKQXTRSABH-UHFFFAOYSA-N 1 2 247.342 2.391 10 30 BEEELO Cc1cc(NC[C@@](C)(O)C(C)C)c(C#N)c(C)[nH+]1 ZINC000301807904 178166819 /nfs/dbraw/zinc/16/68/19/178166819.db2.gz YJJBIYJGPDSIGF-CQSZACIVSA-N 1 2 247.342 2.389 10 30 BEEELO Cc1cc(NC[C@H]2CC[C@@H](O)C2)c(C#N)c(C)[nH+]1 ZINC000235911139 178170236 /nfs/dbraw/zinc/17/02/36/178170236.db2.gz HZZISWBFYVVTNL-NWDGAFQWSA-N 1 2 245.326 2.143 10 30 BEEELO Cc1ccc(N=C2NC(=[NH2+])c3ccccc32)nc1 ZINC000040802675 178359418 /nfs/dbraw/zinc/35/94/18/178359418.db2.gz SLARMVPKINGANU-UHFFFAOYSA-N 1 2 236.278 2.187 10 30 BEEELO CC#CC[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276155149 187239196 /nfs/dbraw/zinc/23/91/96/187239196.db2.gz ZUQZXDLLYCUTGP-CQSZACIVSA-N 1 2 243.354 2.449 10 30 BEEELO CC#CC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276155149 187239199 /nfs/dbraw/zinc/23/91/99/187239199.db2.gz ZUQZXDLLYCUTGP-CQSZACIVSA-N 1 2 243.354 2.449 10 30 BEEELO O[C@@H](C/[NH+]=C/c1ccc[nH]1)c1ccccc1 ZINC000238720190 343258223 /nfs/dbraw/zinc/25/82/23/343258223.db2.gz CVXHBDLIUBKMSO-FYQHACEVSA-N 1 2 214.268 2.167 10 30 BEEELO CC(=O)Nc1cccc(NC2=[NH+][C@@H](C)CS2)c1 ZINC000035294850 187258456 /nfs/dbraw/zinc/25/84/56/187258456.db2.gz PTLOMYZLQOGFHF-QMMMGPOBSA-N 1 2 249.339 2.357 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000054826166 136373192 /nfs/dbraw/zinc/37/31/92/136373192.db2.gz WQOCETQJOSQKKM-PWSUYJOCSA-N 1 2 244.294 2.197 10 30 BEEELO CC(C)(C)[C@@H]1CCCC[C@]1(C#N)[NH2+]CCO ZINC000053707693 187272462 /nfs/dbraw/zinc/27/24/62/187272462.db2.gz SGJXGKJWPOHJBN-WCQYABFASA-N 1 2 224.348 2.067 10 30 BEEELO C#CCn1nc(-c2cccs2)cc1C(=[NH2+])OC ZINC000409443861 343863390 /nfs/dbraw/zinc/86/33/90/343863390.db2.gz VOFWXJCMLARCFE-UHFFFAOYSA-N 1 2 245.307 2.217 10 30 BEEELO C[NH+](C)c1ccc(Nc2nccc(C#N)n2)cc1 ZINC000082305203 187281645 /nfs/dbraw/zinc/28/16/45/187281645.db2.gz IKCVQLHPOCBENQ-UHFFFAOYSA-N 1 2 239.282 2.158 10 30 BEEELO C[C@H](C#N)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361912 344709415 /nfs/dbraw/zinc/70/94/15/344709415.db2.gz AGZXTORGHDRPTC-TZMCWYRMSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@H](C#N)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361912 344709416 /nfs/dbraw/zinc/70/94/16/344709416.db2.gz AGZXTORGHDRPTC-TZMCWYRMSA-N 1 2 241.338 2.035 10 30 BEEELO Cc1cccc(SC[C@](C)([NH3+])C#N)c1 ZINC000045220418 179177481 /nfs/dbraw/zinc/17/74/81/179177481.db2.gz NUKGENZIPMCEOI-LLVKDONJSA-N 1 2 206.314 2.328 10 30 BEEELO C[N@H+](Cc1cccnc1)[C@H]1CCC[C@@H]1C#N ZINC000036771270 347456033 /nfs/dbraw/zinc/45/60/33/347456033.db2.gz BOAVRSSRJUBWBV-OLZOCXBDSA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1cccnc1)[C@H]1CCC[C@@H]1C#N ZINC000036771270 347456034 /nfs/dbraw/zinc/45/60/34/347456034.db2.gz BOAVRSSRJUBWBV-OLZOCXBDSA-N 1 2 215.300 2.206 10 30 BEEELO Cc1ccccc1N[C@]1(C#N)C[NH+]2CCC1CC2 ZINC000037938078 179307481 /nfs/dbraw/zinc/30/74/81/179307481.db2.gz MORPGIVCPPBSNI-OAHLLOKOSA-N 1 2 241.338 2.395 10 30 BEEELO N#C[C@@H]1CCCC[C@@H]1NCc1c[nH+]c2n1CCC2 ZINC000597195586 348672526 /nfs/dbraw/zinc/67/25/26/348672526.db2.gz KQRVBHYKIHGQJQ-AAEUAGOBSA-N 1 2 244.342 2.001 10 30 BEEELO N#C[C@H]1CCCC[C@H]1NCc1c[nH+]c2n1CCC2 ZINC000597195587 348672380 /nfs/dbraw/zinc/67/23/80/348672380.db2.gz KQRVBHYKIHGQJQ-DGCLKSJQSA-N 1 2 244.342 2.001 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000092339552 362945553 /nfs/dbraw/zinc/94/55/53/362945553.db2.gz PKJWUFBFJLYCNU-WCQYABFASA-N 1 2 233.315 2.463 10 30 BEEELO N#CCCCCc1[nH+]cnc2[nH]ccc21 ZINC000089223831 191021134 /nfs/dbraw/zinc/02/11/34/191021134.db2.gz HRZCNSLREGJAPU-UHFFFAOYSA-N 1 2 200.245 2.194 10 30 BEEELO Cc1[nH+]c2ccc(Cl)cn2c1CC#N ZINC000031921843 180091899 /nfs/dbraw/zinc/09/18/99/180091899.db2.gz MSVMGJGWKFYVAR-UHFFFAOYSA-N 1 2 205.648 2.362 10 30 BEEELO Cc1[nH+]c2cccc(Cl)n2c1CC#N ZINC000074375380 180099838 /nfs/dbraw/zinc/09/98/38/180099838.db2.gz IHJHXQKFOKYUGF-UHFFFAOYSA-N 1 2 205.648 2.362 10 30 BEEELO Cc1csc2nc(C)c(C[NH2+]CCC#N)n12 ZINC000037240195 180117540 /nfs/dbraw/zinc/11/75/40/180117540.db2.gz DWKKUGZJFHLHRZ-UHFFFAOYSA-N 1 2 234.328 2.016 10 30 BEEELO Cc1[nH+]c[nH]c1CNc1ccccc1C#N ZINC000054793796 180122178 /nfs/dbraw/zinc/12/21/78/180122178.db2.gz AFYMRXKXGKHPFB-UHFFFAOYSA-N 1 2 212.256 2.202 10 30 BEEELO CC(C)[N@@H+]1CCO[C@H](c2ccccc2C#N)C1 ZINC000616646455 351171463 /nfs/dbraw/zinc/17/14/63/351171463.db2.gz HCXMVIDVNACBCQ-AWEZNQCLSA-N 1 2 230.311 2.340 10 30 BEEELO CC(C)[N@H+]1CCO[C@H](c2ccccc2C#N)C1 ZINC000616646455 351171466 /nfs/dbraw/zinc/17/14/66/351171466.db2.gz HCXMVIDVNACBCQ-AWEZNQCLSA-N 1 2 230.311 2.340 10 30 BEEELO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)nc1 ZINC000088135420 351624736 /nfs/dbraw/zinc/62/47/36/351624736.db2.gz WPSPVOXUBUMMLE-YPMHNXCESA-N 1 2 215.300 2.172 10 30 BEEELO CN1CC[N@@H+]([C@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432935 351745185 /nfs/dbraw/zinc/74/51/85/351745185.db2.gz SMIOSJVGBJETND-UONOGXRCSA-N 1 2 233.359 2.015 10 30 BEEELO CN1CC[N@H+]([C@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432935 351745188 /nfs/dbraw/zinc/74/51/88/351745188.db2.gz SMIOSJVGBJETND-UONOGXRCSA-N 1 2 233.359 2.015 10 30 BEEELO CCc1[nH+]ccn1-c1nc(Cl)c(C#N)s1 ZINC000307410637 352587025 /nfs/dbraw/zinc/58/70/25/352587025.db2.gz QPNJRROSMYSGAZ-UHFFFAOYSA-N 1 2 238.703 2.416 10 30 BEEELO N#Cc1cc(Cl)ccc1-n1cc[nH+]c1 ZINC000052859780 353117670 /nfs/dbraw/zinc/11/76/70/353117670.db2.gz OGGVOMBBWVYMDZ-UHFFFAOYSA-N 1 2 203.632 2.397 10 30 BEEELO C=C(Br)C[N@@H+]1CCS[C@@H](C)C1 ZINC000170901333 188251748 /nfs/dbraw/zinc/25/17/48/188251748.db2.gz UACLPWKJNNWVFU-QMMMGPOBSA-N 1 2 236.178 2.332 10 30 BEEELO C=C(Br)C[N@H+]1CCS[C@@H](C)C1 ZINC000170901333 188251749 /nfs/dbraw/zinc/25/17/49/188251749.db2.gz UACLPWKJNNWVFU-QMMMGPOBSA-N 1 2 236.178 2.332 10 30 BEEELO CC(C)(C)c1cccc(OC[C@H]([NH3+])C#N)c1 ZINC000019665839 188281490 /nfs/dbraw/zinc/28/14/90/188281490.db2.gz WVTDSNMVKXQTPH-LLVKDONJSA-N 1 2 218.300 2.214 10 30 BEEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000091978934 188318583 /nfs/dbraw/zinc/31/85/83/188318583.db2.gz SQVCGWBYPWWOBA-KBPBESRZSA-N 1 2 246.310 2.295 10 30 BEEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000091978934 188318585 /nfs/dbraw/zinc/31/85/85/188318585.db2.gz SQVCGWBYPWWOBA-KBPBESRZSA-N 1 2 246.310 2.295 10 30 BEEELO N#CC[C@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000083667461 181047497 /nfs/dbraw/zinc/04/74/97/181047497.db2.gz UIWUHOCAADOQND-LLVKDONJSA-N 1 2 206.676 2.440 10 30 BEEELO N#CC[C@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000083667128 181047207 /nfs/dbraw/zinc/04/72/07/181047207.db2.gz VGGZMDVUQQCMJM-LLVKDONJSA-N 1 2 206.676 2.440 10 30 BEEELO N#C[C@@H]([NH3+])COc1c(Cl)cccc1Cl ZINC000019666052 181056327 /nfs/dbraw/zinc/05/63/27/181056327.db2.gz RIBBCTNHJDHPKX-ZCFIWIBFSA-N 1 2 231.082 2.223 10 30 BEEELO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C=O ZINC000054237955 181145707 /nfs/dbraw/zinc/14/57/07/181145707.db2.gz RBAKGXQPADYZMO-AWEZNQCLSA-N 1 2 228.295 2.112 10 30 BEEELO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C=O ZINC000054237955 181145709 /nfs/dbraw/zinc/14/57/09/181145709.db2.gz RBAKGXQPADYZMO-AWEZNQCLSA-N 1 2 228.295 2.112 10 30 BEEELO N#Cc1ccccc1Nc1ccc(N)c[nH+]1 ZINC000020585518 181148928 /nfs/dbraw/zinc/14/89/28/181148928.db2.gz BCNNQBVQWDFFBK-UHFFFAOYSA-N 1 2 210.240 2.279 10 30 BEEELO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1ncccn1 ZINC000072448712 181179509 /nfs/dbraw/zinc/17/95/09/181179509.db2.gz MQIAHSOVQWYJBP-UHFFFAOYSA-N 1 2 247.689 2.188 10 30 BEEELO N/C(CCCSCc1ccccc1)=[NH+]\O ZINC000019847727 181182505 /nfs/dbraw/zinc/18/25/05/181182505.db2.gz OHPJLHVVAJWQJS-UHFFFAOYSA-N 1 2 224.329 2.446 10 30 BEEELO N/C(CCCOc1cccc2cccnc21)=[NH+]\O ZINC000020297068 181182622 /nfs/dbraw/zinc/18/26/22/181182622.db2.gz SELZTJUPINIPQC-UHFFFAOYSA-N 1 2 245.282 2.140 10 30 BEEELO N#CCC[NH+]1CCC(c2cccnc2)CC1 ZINC000057497451 355772357 /nfs/dbraw/zinc/77/23/57/355772357.db2.gz PQKMZJKHQXUVEB-UHFFFAOYSA-N 1 2 215.300 2.175 10 30 BEEELO Cc1nnsc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000384211374 356481391 /nfs/dbraw/zinc/48/13/91/356481391.db2.gz CNBLUKGCKNMDIQ-VHSXEESVSA-N 1 2 236.344 2.019 10 30 BEEELO C[C@H]1C[N@H+](CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192158 134123804 /nfs/dbraw/zinc/12/38/04/134123804.db2.gz ALUKSKGRNAMMNC-NSHDSACASA-N 1 2 222.332 2.180 10 30 BEEELO C[C@H]1C[N@@H+](CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192158 134123805 /nfs/dbraw/zinc/12/38/05/134123805.db2.gz ALUKSKGRNAMMNC-NSHDSACASA-N 1 2 222.332 2.180 10 30 BEEELO CCc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 ZINC000132443548 358723106 /nfs/dbraw/zinc/72/31/06/358723106.db2.gz AKBIMBBVDFWJGD-MWLCHTKSSA-N 1 2 235.356 2.487 10 30 BEEELO Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000070908707 359064943 /nfs/dbraw/zinc/06/49/43/359064943.db2.gz HVYOSIHDHVDDIM-VXGBXAGGSA-N 1 2 215.300 2.172 10 30 BEEELO Cc1cc(OC(F)(F)F)c(CC#N)c[nH+]1 ZINC000238492222 361128873 /nfs/dbraw/zinc/12/88/73/361128873.db2.gz JQXRBJDPDJNKPM-UHFFFAOYSA-N 1 2 216.162 2.355 10 30 BEEELO C=CCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000162383988 361348606 /nfs/dbraw/zinc/34/86/06/361348606.db2.gz QXKSHGVCRXNGLH-UHFFFAOYSA-N 1 2 201.273 2.192 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2C#N)o1 ZINC000311831162 370440462 /nfs/dbraw/zinc/44/04/62/370440462.db2.gz LNOZWRNEUZKARE-RYUDHWBXSA-N 1 2 233.315 2.463 10 30 BEEELO CCC[NH2+][C@H](C#N)CCOc1cccc(OC)c1 ZINC000062445834 169283632 /nfs/dbraw/zinc/28/36/32/169283632.db2.gz XPKXHEUOBQULIP-LBPRGKRZSA-N 1 2 248.326 2.356 10 30 BEEELO CCCOc1ccccc1OCC[C@H]([NH3+])C#N ZINC000062443584 169327736 /nfs/dbraw/zinc/32/77/36/169327736.db2.gz ITKOWZXJUNNUGT-NSHDSACASA-N 1 2 234.299 2.095 10 30 BEEELO C[C@H](C#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599284 384387230 /nfs/dbraw/zinc/38/72/30/384387230.db2.gz KHTCOYXDROKQHV-YPMHNXCESA-N 1 2 200.285 2.388 10 30 BEEELO C[C@H](C#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599284 384387239 /nfs/dbraw/zinc/38/72/39/384387239.db2.gz KHTCOYXDROKQHV-YPMHNXCESA-N 1 2 200.285 2.388 10 30 BEEELO CC[C@H](CCO)Nc1cc(C)[nH+]c(C)c1C#N ZINC000158082966 384845708 /nfs/dbraw/zinc/84/57/08/384845708.db2.gz ABGIOYHKSHYVLA-LLVKDONJSA-N 1 2 233.315 2.143 10 30 BEEELO Cc1nc(C[NH2+][C@H]2CCC[C@H]2C#N)cs1 ZINC000054826252 385664609 /nfs/dbraw/zinc/66/46/09/385664609.db2.gz RMEVRALEXIFYOG-ONGXEEELSA-N 1 2 221.329 2.233 10 30 BEEELO CSC1([C@@H](C#N)[NH+]2CCCC2)CCC1 ZINC000307713786 386068390 /nfs/dbraw/zinc/06/83/90/386068390.db2.gz CKMYJOARJLKANE-SNVBAGLBSA-N 1 2 210.346 2.260 10 30 BEEELO CC[C@@H](CCO)CNc1cc(C)[nH+]c(C)c1C#N ZINC000127356315 387100438 /nfs/dbraw/zinc/10/04/38/387100438.db2.gz VMFOJSQOCBYLAE-LBPRGKRZSA-N 1 2 247.342 2.391 10 30 BEEELO C#C[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000164859113 388249400 /nfs/dbraw/zinc/24/94/00/388249400.db2.gz YASCXKGFEWXZLJ-SECBINFHSA-N 1 2 203.289 2.342 10 30 BEEELO C[C@H]1CCCCN1c1ccc(/C(N)=[NH+]/O)cc1 ZINC000019865646 132327994 /nfs/dbraw/zinc/32/79/94/132327994.db2.gz BDBYWIHECSWRLC-JTQLQIEISA-N 1 2 233.315 2.160 10 30 BEEELO C[C@@H](C#N)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031945823 132334666 /nfs/dbraw/zinc/33/46/66/132334666.db2.gz MUGSFSHJHBWNOL-LBPRGKRZSA-N 1 2 247.317 2.107 10 30 BEEELO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC#N)n1 ZINC000369901034 134223285 /nfs/dbraw/zinc/22/32/85/134223285.db2.gz SDVBPCJITSHAIE-CYBMUJFWSA-N 1 2 244.342 2.180 10 30 BEEELO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC#N)n1 ZINC000369901034 134223286 /nfs/dbraw/zinc/22/32/86/134223286.db2.gz SDVBPCJITSHAIE-CYBMUJFWSA-N 1 2 244.342 2.180 10 30 BEEELO Cc1cc(NCCOC(C)C)c(C#N)c(C)[nH+]1 ZINC000168650669 134238889 /nfs/dbraw/zinc/23/88/89/134238889.db2.gz YXTRPQNTYNGWHI-UHFFFAOYSA-N 1 2 233.315 2.407 10 30 BEEELO Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000334508885 134972074 /nfs/dbraw/zinc/97/20/74/134972074.db2.gz LDQREVXODRJMSV-ZJUUUORDSA-N 1 2 221.329 2.233 10 30 BEEELO COc1ccc([C@H]2C[C@@H](C)[N@H+](CC#N)C2)cc1 ZINC000076390299 135033396 /nfs/dbraw/zinc/03/33/96/135033396.db2.gz VHJQFFJQUFPYEY-YPMHNXCESA-N 1 2 230.311 2.397 10 30 BEEELO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CC#N)C2)cc1 ZINC000076390299 135033398 /nfs/dbraw/zinc/03/33/98/135033398.db2.gz VHJQFFJQUFPYEY-YPMHNXCESA-N 1 2 230.311 2.397 10 30 BEEELO COc1ccc([C@H]2C[C@H](C)[N@H+](CC#N)C2)cc1 ZINC000076390302 135033499 /nfs/dbraw/zinc/03/34/99/135033499.db2.gz VHJQFFJQUFPYEY-AAEUAGOBSA-N 1 2 230.311 2.397 10 30 BEEELO COc1ccc([C@H]2C[C@H](C)[N@@H+](CC#N)C2)cc1 ZINC000076390302 135033501 /nfs/dbraw/zinc/03/35/01/135033501.db2.gz VHJQFFJQUFPYEY-AAEUAGOBSA-N 1 2 230.311 2.397 10 30 BEEELO CCC(=O)/C(=C/N(C)C)c1ccc2[nH+]ccn2c1 ZINC000089201397 168196996 /nfs/dbraw/zinc/19/69/96/168196996.db2.gz JPLLHQWSHVVQLW-ZRDIBKRKSA-N 1 2 243.310 2.216 10 30 BEEELO CCNc1cc(C[N@H+](C)C[C@@H](C)C#N)ccn1 ZINC000052725145 170172375 /nfs/dbraw/zinc/17/23/75/170172375.db2.gz DUPZVGHIRHFJOB-NSHDSACASA-N 1 2 232.331 2.105 10 30 BEEELO CCNc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccn1 ZINC000052725145 170172377 /nfs/dbraw/zinc/17/23/77/170172377.db2.gz DUPZVGHIRHFJOB-NSHDSACASA-N 1 2 232.331 2.105 10 30 BEEELO C[N@@H+]1CC[C@@](C#N)(Nc2cccc(Cl)c2)C1 ZINC000061990892 173135977 /nfs/dbraw/zinc/13/59/77/173135977.db2.gz FGYWQZKPUFHCOT-LBPRGKRZSA-N 1 2 235.718 2.350 10 30 BEEELO C[N@H+]1CC[C@@](C#N)(Nc2cccc(Cl)c2)C1 ZINC000061990892 173135980 /nfs/dbraw/zinc/13/59/80/173135980.db2.gz FGYWQZKPUFHCOT-LBPRGKRZSA-N 1 2 235.718 2.350 10 30 BEEELO COCCC[NH2+][C@@H](C#N)C1CCCCC1 ZINC000071512309 174249764 /nfs/dbraw/zinc/24/97/64/174249764.db2.gz WCZBIWJJJBGKFX-LBPRGKRZSA-N 1 2 210.321 2.085 10 30 BEEELO C[C@H]1CCCC[C@H]1OCCC/C(N)=[NH+]/O ZINC000019511826 177089715 /nfs/dbraw/zinc/08/97/15/177089715.db2.gz KVTNNEXUWPMIIX-VHSXEESVSA-N 1 2 214.309 2.108 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC000151493710 177297817 /nfs/dbraw/zinc/29/78/17/177297817.db2.gz FZDNRPHRNJAQCM-BETUJISGSA-N 1 2 247.313 2.286 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000151493710 177297818 /nfs/dbraw/zinc/29/78/18/177297818.db2.gz FZDNRPHRNJAQCM-BETUJISGSA-N 1 2 247.313 2.286 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000120776495 177300016 /nfs/dbraw/zinc/30/00/16/177300016.db2.gz XKZVNIURFIMJKD-QWRGUYRKSA-N 1 2 248.301 2.307 10 30 BEEELO C=CC[N@@H+](C)Cc1ccsc1C(=O)OC ZINC000121396681 324010278 /nfs/dbraw/zinc/01/02/78/324010278.db2.gz CELYIGCASIACAT-UHFFFAOYSA-N 1 2 225.313 2.153 10 30 BEEELO C=CC[N@H+](C)Cc1ccsc1C(=O)OC ZINC000121396681 324010282 /nfs/dbraw/zinc/01/02/82/324010282.db2.gz CELYIGCASIACAT-UHFFFAOYSA-N 1 2 225.313 2.153 10 30 BEEELO CCc1ccc(CS[C@H](C)[C@H]([NH3+])C#N)o1 ZINC000757163958 582545794 /nfs/dbraw/zinc/54/57/94/582545794.db2.gz FYSOKNMDDOIWQK-LDYMZIIASA-N 1 2 224.329 2.315 10 30 BEEELO CCc1ccc(CS[C@H](C)[C@@H]([NH3+])C#N)o1 ZINC000757163955 582545960 /nfs/dbraw/zinc/54/59/60/582545960.db2.gz FYSOKNMDDOIWQK-KCJUWKMLSA-N 1 2 224.329 2.315 10 30 BEEELO C=C(C)C(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962015 538909029 /nfs/dbraw/zinc/90/90/29/538909029.db2.gz QZBXCDZITDBXPL-YPMHNXCESA-N 1 2 233.311 2.064 10 30 BEEELO C=C(C)C(=O)[C@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000685962013 538909268 /nfs/dbraw/zinc/90/92/68/538909268.db2.gz QZBXCDZITDBXPL-DGCLKSJQSA-N 1 2 233.311 2.064 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)on1 ZINC000054828012 178039824 /nfs/dbraw/zinc/03/98/24/178039824.db2.gz RNXJFTRHJDUHLB-PWSUYJOCSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)c(C#N)c(C)[nH+]1 ZINC000128767380 178192546 /nfs/dbraw/zinc/19/25/46/178192546.db2.gz HNBKRAFUQMQIOG-QWHCGFSZSA-N 1 2 245.326 2.141 10 30 BEEELO Cc1ccc(C#N)c(N(C)Cc2[nH+]ccn2C)c1 ZINC000062255549 178363476 /nfs/dbraw/zinc/36/34/76/178363476.db2.gz IRHVWQWZCDVNRP-UHFFFAOYSA-N 1 2 240.310 2.237 10 30 BEEELO C=C(Cl)C[NH2+][C@H](C)c1nccnc1C ZINC000219191133 187227032 /nfs/dbraw/zinc/22/70/32/187227032.db2.gz PZKRMGUQWXMXPF-SECBINFHSA-N 1 2 211.696 2.188 10 30 BEEELO CCc1nc(C)c(C[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000336813780 136271013 /nfs/dbraw/zinc/27/10/13/136271013.db2.gz DCOFCDCDKCSSNP-QWRGUYRKSA-N 1 2 233.315 2.327 10 30 BEEELO C[C@H](CC#N)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134970676 343325490 /nfs/dbraw/zinc/32/54/90/343325490.db2.gz CCJHCKXBTSVDBU-SSDOTTSWSA-N 1 2 225.273 2.048 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054828661 136373091 /nfs/dbraw/zinc/37/30/91/136373091.db2.gz OWZIPAVHVVZYRO-JQWIXIFHSA-N 1 2 245.282 2.377 10 30 BEEELO CC(=O)c1ccc(C#CCn2cc[nH+]c2)s1 ZINC000585145049 343880413 /nfs/dbraw/zinc/88/04/13/343880413.db2.gz CDOZOQVYJAVJFO-UHFFFAOYSA-N 1 2 230.292 2.199 10 30 BEEELO COC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000157390516 344045821 /nfs/dbraw/zinc/04/58/21/344045821.db2.gz MQRLBNQXFACTBX-UHFFFAOYSA-N 1 2 245.326 2.185 10 30 BEEELO N#C[C@]1([NH3+])CCc2cc(Br)ccc21 ZINC000127567612 344564652 /nfs/dbraw/zinc/56/46/52/344564652.db2.gz FPFWBQICAUNCBH-SNVBAGLBSA-N 1 2 237.100 2.073 10 30 BEEELO C[C@@H]1C[NH2+][C@H](c2ccccc2C#N)S1 ZINC000235376505 344897465 /nfs/dbraw/zinc/89/74/65/344897465.db2.gz GVEPJXJDBXEPHE-KCJUWKMLSA-N 1 2 204.298 2.282 10 30 BEEELO Cc1cccc(C)c1OCCC/C(N)=[NH+]/O ZINC000019476605 179046763 /nfs/dbraw/zinc/04/67/63/179046763.db2.gz KUAHWWMYJJSKQH-UHFFFAOYSA-N 1 2 222.288 2.209 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000309575147 347107690 /nfs/dbraw/zinc/10/76/90/347107690.db2.gz ONUOBWAEWUHPDF-JQWIXIFHSA-N 1 2 219.263 2.003 10 30 BEEELO C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000036777529 347463641 /nfs/dbraw/zinc/46/36/41/347463641.db2.gz RJJIATQOFDYGNA-YPMHNXCESA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000036777529 347463644 /nfs/dbraw/zinc/46/36/44/347463644.db2.gz RJJIATQOFDYGNA-YPMHNXCESA-N 1 2 215.300 2.206 10 30 BEEELO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000036777528 347463965 /nfs/dbraw/zinc/46/39/65/347463965.db2.gz RJJIATQOFDYGNA-DGCLKSJQSA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000036777528 347463967 /nfs/dbraw/zinc/46/39/67/347463967.db2.gz RJJIATQOFDYGNA-DGCLKSJQSA-N 1 2 215.300 2.206 10 30 BEEELO C/C=C1/C[N@H+](Cc2ccccc2)CCC1=O ZINC000725246011 538005170 /nfs/dbraw/zinc/00/51/70/538005170.db2.gz PSXIUHRHTLEIJB-SILLCRNTSA-N 1 2 215.296 2.408 10 30 BEEELO C/C=C1/C[N@@H+](Cc2ccccc2)CCC1=O ZINC000725246011 538005175 /nfs/dbraw/zinc/00/51/75/538005175.db2.gz PSXIUHRHTLEIJB-SILLCRNTSA-N 1 2 215.296 2.408 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000092339553 362945512 /nfs/dbraw/zinc/94/55/12/362945512.db2.gz PKJWUFBFJLYCNU-AAEUAGOBSA-N 1 2 233.315 2.463 10 30 BEEELO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 ZINC000334508879 350674735 /nfs/dbraw/zinc/67/47/35/350674735.db2.gz LDQREVXODRJMSV-NXEZZACHSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)o1 ZINC000230645684 352196525 /nfs/dbraw/zinc/19/65/25/352196525.db2.gz OJMZZOIYRKRIMK-SNVBAGLBSA-N 1 2 242.282 2.101 10 30 BEEELO C=C(Br)C[NH+]1CC(C)(C)C1 ZINC000306622097 353030317 /nfs/dbraw/zinc/03/03/17/353030317.db2.gz CLFASEPKYYVSHZ-UHFFFAOYSA-N 1 2 204.111 2.237 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000070797520 353262671 /nfs/dbraw/zinc/26/26/71/353262671.db2.gz RVQFOXOOAIDZPH-ZYHUDNBSSA-N 1 2 219.288 2.073 10 30 BEEELO C=C(Cl)C[NH2+][C@@H](C)c1nccnc1C ZINC000219191067 188251489 /nfs/dbraw/zinc/25/14/89/188251489.db2.gz PZKRMGUQWXMXPF-VIFPVBQESA-N 1 2 211.696 2.188 10 30 BEEELO CCCn1nccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000160141285 353299841 /nfs/dbraw/zinc/29/98/41/353299841.db2.gz NPPHZSDLNABRTH-WCQYABFASA-N 1 2 232.331 2.075 10 30 BEEELO Cc1ccc(SCC[C@H]([NH3+])C#N)cc1 ZINC000062453220 188360779 /nfs/dbraw/zinc/36/07/79/188360779.db2.gz KYXMEFVRSNARNR-JTQLQIEISA-N 1 2 206.314 2.328 10 30 BEEELO N#CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000055019796 181045777 /nfs/dbraw/zinc/04/57/77/181045777.db2.gz PETPVEQHJPAYIN-UONOGXRCSA-N 1 2 230.311 2.098 10 30 BEEELO N#CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000055019796 181045778 /nfs/dbraw/zinc/04/57/78/181045778.db2.gz PETPVEQHJPAYIN-UONOGXRCSA-N 1 2 230.311 2.098 10 30 BEEELO N#CC[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103954950 181045920 /nfs/dbraw/zinc/04/59/20/181045920.db2.gz JNQKAQHYZTVUPY-KBPBESRZSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@@H]([NH3+])CCOc1cccc2ccccc21 ZINC000019666749 181055739 /nfs/dbraw/zinc/05/57/39/181055739.db2.gz OVQOXZAHLYWBSZ-LBPRGKRZSA-N 1 2 226.279 2.460 10 30 BEEELO N#C[C@H]([NH2+]C1CCCCCC1)[C@H]1CCOC1 ZINC000037970104 181065771 /nfs/dbraw/zinc/06/57/71/181065771.db2.gz WNXCICUCHYDHCW-AAEUAGOBSA-N 1 2 222.332 2.227 10 30 BEEELO N/C(CCCOc1ccc(Cl)cc1)=[NH+]\O ZINC000019517802 181182575 /nfs/dbraw/zinc/18/25/75/181182575.db2.gz PFVLNVDQOBDKPK-UHFFFAOYSA-N 1 2 228.679 2.245 10 30 BEEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000404322286 369426596 /nfs/dbraw/zinc/42/65/96/369426596.db2.gz RNVQQYVXBANFQL-GXSJLCMTSA-N 1 2 221.329 2.315 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)sn1 ZINC000404479806 369430578 /nfs/dbraw/zinc/43/05/78/369430578.db2.gz DQRGQXOJBOXUSU-ONGXEEELSA-N 1 2 221.329 2.233 10 30 BEEELO C[C@]1(/[N+](O)=C/c2ccco2)CCCCC1=O ZINC000225397209 370517137 /nfs/dbraw/zinc/51/71/37/370517137.db2.gz HUDRFSVIHYRDSF-VWLVURMCSA-N 1 2 222.264 2.002 10 30 BEEELO Cc1cc(N2C[C@H](C)O[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000156534268 371441732 /nfs/dbraw/zinc/44/17/32/371441732.db2.gz SNLKUGSIKKPGCK-QWRGUYRKSA-N 1 2 245.326 2.184 10 30 BEEELO CCC[NH2+][C@@](C)(C#N)CCOCCOCCC ZINC000104248702 169283547 /nfs/dbraw/zinc/28/35/47/169283547.db2.gz HEXFBHGBEGREBF-CYBMUJFWSA-N 1 2 242.363 2.102 10 30 BEEELO Cc1cc[nH+]cc1N[C@H]1CC[C@H](C#N)C1 ZINC000335599758 384370435 /nfs/dbraw/zinc/37/04/35/384370435.db2.gz OQYJHVNYJCDREX-QWRGUYRKSA-N 1 2 201.273 2.494 10 30 BEEELO C/[NH+]=C(/c1ccccc1)C1(O)CCCC1 ZINC000095942481 384416933 /nfs/dbraw/zinc/41/69/33/384416933.db2.gz OGPWHHILMYHQFU-OWBHPGMISA-N 1 2 203.285 2.411 10 30 BEEELO Cc1cc(NC[C@H]2CCC[C@@H]2O)c(C#N)c(C)[nH+]1 ZINC000157453871 384478414 /nfs/dbraw/zinc/47/84/14/384478414.db2.gz BECWLNUJCJLCNA-RISCZKNCSA-N 1 2 245.326 2.143 10 30 BEEELO C[C@@H]([NH2+]CCC#N)c1ccccc1[N+](=O)[O-] ZINC000020526274 384622031 /nfs/dbraw/zinc/62/20/31/384622031.db2.gz AHKGUUGGNGISDZ-SECBINFHSA-N 1 2 219.244 2.159 10 30 BEEELO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)o1 ZINC000054829793 385666588 /nfs/dbraw/zinc/66/65/88/385666588.db2.gz HZMNCQWJJZXZOV-PWSUYJOCSA-N 1 2 204.273 2.370 10 30 BEEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)o1 ZINC000054829790 385666653 /nfs/dbraw/zinc/66/66/53/385666653.db2.gz HZMNCQWJJZXZOV-ZYHUDNBSSA-N 1 2 204.273 2.370 10 30 BEEELO C#CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195369624 387910936 /nfs/dbraw/zinc/91/09/36/387910936.db2.gz WJEIZFLIOGVMOZ-JTQLQIEISA-N 1 2 206.314 2.303 10 30 BEEELO C#CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195369624 387910939 /nfs/dbraw/zinc/91/09/39/387910939.db2.gz WJEIZFLIOGVMOZ-JTQLQIEISA-N 1 2 206.314 2.303 10 30 BEEELO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000164661510 388242360 /nfs/dbraw/zinc/24/23/60/388242360.db2.gz IXDRPKQSIUZYIX-MNOVXSKESA-N 1 2 204.273 2.370 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CCCc2ccccc2CC1 ZINC000336291396 134142222 /nfs/dbraw/zinc/14/22/22/134142222.db2.gz AXSFIZDUPQBODD-LBPRGKRZSA-N 1 2 214.312 2.389 10 30 BEEELO C[C@@H](C#N)[N@H+]1CCCc2ccccc2CC1 ZINC000336291396 134142223 /nfs/dbraw/zinc/14/22/23/134142223.db2.gz AXSFIZDUPQBODD-LBPRGKRZSA-N 1 2 214.312 2.389 10 30 BEEELO CC[NH2+][C@@](C)(C#N)CCc1ccc2c(c1)OCO2 ZINC000020379584 170155242 /nfs/dbraw/zinc/15/52/42/170155242.db2.gz XBTXVHSUXWCMSY-CQSZACIVSA-N 1 2 246.310 2.240 10 30 BEEELO CCNc1cc(C[N@H+](C)C[C@H](C)C#N)ccn1 ZINC000052725148 170172469 /nfs/dbraw/zinc/17/24/69/170172469.db2.gz DUPZVGHIRHFJOB-LLVKDONJSA-N 1 2 232.331 2.105 10 30 BEEELO CCNc1cc(C[N@@H+](C)C[C@H](C)C#N)ccn1 ZINC000052725148 170172470 /nfs/dbraw/zinc/17/24/70/170172470.db2.gz DUPZVGHIRHFJOB-LLVKDONJSA-N 1 2 232.331 2.105 10 30 BEEELO CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042450706 171113403 /nfs/dbraw/zinc/11/34/03/171113403.db2.gz HINXCFMLXIDZPH-FDYHWXHSSA-N 1 2 222.332 2.178 10 30 BEEELO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042450706 171113404 /nfs/dbraw/zinc/11/34/04/171113404.db2.gz HINXCFMLXIDZPH-FDYHWXHSSA-N 1 2 222.332 2.178 10 30 BEEELO CCn1c2ccccc2nc1C[NH2+]C[C@H](C)C#N ZINC000052684658 172144694 /nfs/dbraw/zinc/14/46/94/172144694.db2.gz YRQUWOLYJHEMTP-LLVKDONJSA-N 1 2 242.326 2.305 10 30 BEEELO COCC[N@H+](CCC#N)[C@H](C)c1cccc(N)c1 ZINC000071221839 174290058 /nfs/dbraw/zinc/29/00/58/174290058.db2.gz BEIMOAILBHNSAT-GFCCVEGCSA-N 1 2 247.342 2.192 10 30 BEEELO COCC[N@@H+](CCC#N)[C@H](C)c1cccc(N)c1 ZINC000071221839 174290059 /nfs/dbraw/zinc/29/00/59/174290059.db2.gz BEIMOAILBHNSAT-GFCCVEGCSA-N 1 2 247.342 2.192 10 30 BEEELO COc1ccc([NH2+]CCCC#N)c(OC)c1 ZINC000020041075 175151098 /nfs/dbraw/zinc/15/10/98/175151098.db2.gz FTJIVBSFZBMODL-UHFFFAOYSA-N 1 2 220.272 2.419 10 30 BEEELO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C#N)[C@H](C)CO1 ZINC000035784581 176315629 /nfs/dbraw/zinc/31/56/29/176315629.db2.gz IXTCNBQHCLXJPO-FDYHWXHSSA-N 1 2 222.332 2.178 10 30 BEEELO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2C#N)[C@H](C)CO1 ZINC000035784581 176315630 /nfs/dbraw/zinc/31/56/30/176315630.db2.gz IXTCNBQHCLXJPO-FDYHWXHSSA-N 1 2 222.332 2.178 10 30 BEEELO C[C@@H]1C[N@@H+]([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145853 176315774 /nfs/dbraw/zinc/31/57/74/176315774.db2.gz ZYEGYSKBJIIDGK-JHJVBQTASA-N 1 2 222.332 2.180 10 30 BEEELO C[C@@H]1C[N@H+]([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145853 176315776 /nfs/dbraw/zinc/31/57/76/176315776.db2.gz ZYEGYSKBJIIDGK-JHJVBQTASA-N 1 2 222.332 2.180 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000077368364 177298687 /nfs/dbraw/zinc/29/86/87/177298687.db2.gz GEXPRLMODCOTFR-TXEJJXNPSA-N 1 2 230.311 2.167 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000077368364 177298688 /nfs/dbraw/zinc/29/86/88/177298688.db2.gz GEXPRLMODCOTFR-TXEJJXNPSA-N 1 2 230.311 2.167 10 30 BEEELO CCC[C@H]1C[C@H]1Nc1cc(C)[nH+]cc1C#N ZINC000399462536 266081337 /nfs/dbraw/zinc/08/13/37/266081337.db2.gz QNEVCMWRFQXLAA-GXFFZTMASA-N 1 2 215.300 2.284 10 30 BEEELO C=CC[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000121144801 324003591 /nfs/dbraw/zinc/00/35/91/324003591.db2.gz LFOKYCBWCRMBLU-UHFFFAOYSA-N 1 2 242.326 2.100 10 30 BEEELO C=CC[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000121144801 324003598 /nfs/dbraw/zinc/00/35/98/324003598.db2.gz LFOKYCBWCRMBLU-UHFFFAOYSA-N 1 2 242.326 2.100 10 30 BEEELO C[C@@H](SCc1ccc(Cl)o1)[C@@H]([NH3+])C#N ZINC000757165616 582547075 /nfs/dbraw/zinc/54/70/75/582547075.db2.gz MLBJRMUULFMRCZ-SVRRBLITSA-N 1 2 230.720 2.406 10 30 BEEELO CC#CC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121339858 534709499 /nfs/dbraw/zinc/70/94/99/534709499.db2.gz PXRCVEAHXWIJDM-GFCCVEGCSA-N 1 2 237.343 2.206 10 30 BEEELO CC#CC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121339858 534709503 /nfs/dbraw/zinc/70/95/03/534709503.db2.gz PXRCVEAHXWIJDM-GFCCVEGCSA-N 1 2 237.343 2.206 10 30 BEEELO Cc1ccc(C2=CC(=O)C[C@](C)(O)C2)c(C)[nH+]1 ZINC000040538556 524231416 /nfs/dbraw/zinc/23/14/16/524231416.db2.gz WHFJHEMDVSMOPC-CQSZACIVSA-N 1 2 231.295 2.196 10 30 BEEELO CCc1ccc(CSC[C@](C)([NH3+])C#N)o1 ZINC000757165532 582546674 /nfs/dbraw/zinc/54/66/74/582546674.db2.gz MBQUEDLNYSJLJV-LLVKDONJSA-N 1 2 224.329 2.316 10 30 BEEELO C=CCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177787834 632883292 /nfs/dbraw/zinc/88/32/92/632883292.db2.gz JHKVMORRAKVSBR-CYBMUJFWSA-N 1 2 247.342 2.230 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226819651 640794529 /nfs/dbraw/zinc/79/45/29/640794529.db2.gz FRDOLONHHXKVGX-YNEHKIRRSA-N 1 2 227.311 2.351 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)no1 ZINC000054827885 178039757 /nfs/dbraw/zinc/03/97/57/178039757.db2.gz FQUCOXZNEKEIEB-JQWIXIFHSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(Cl)cn2c(CC#N)c[nH+]c12 ZINC000082693498 178069696 /nfs/dbraw/zinc/06/96/96/178069696.db2.gz DXEYSFVMAXHTJK-UHFFFAOYSA-N 1 2 205.648 2.362 10 30 BEEELO Cc1cc(NCC(C)(C)CO)c(C#N)c(C)[nH+]1 ZINC000125088019 178157200 /nfs/dbraw/zinc/15/72/00/178157200.db2.gz MEZIHZOMFUAXEH-UHFFFAOYSA-N 1 2 233.315 2.001 10 30 BEEELO Cc1cc(NC[C@H](C)C[C@@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301796743 178169008 /nfs/dbraw/zinc/16/90/08/178169008.db2.gz TZUUAONWYRAJRB-MWLCHTKSSA-N 1 2 247.342 2.389 10 30 BEEELO CCC(CC)N(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000036789153 168369547 /nfs/dbraw/zinc/36/95/47/168369547.db2.gz RQLLAWPGVWVXSP-UHFFFAOYSA-N 1 2 235.331 2.406 10 30 BEEELO N#CC[C@H]1[NH2+]CC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575433995 398328002 /nfs/dbraw/zinc/32/80/02/398328002.db2.gz CCKSVCODNUOMEW-GFCCVEGCSA-N 1 2 243.266 2.184 10 30 BEEELO C[C@H]1SCC[C@]1(C#N)[NH2+]C1CCCC1 ZINC000235628949 344015183 /nfs/dbraw/zinc/01/51/83/344015183.db2.gz DZHCJMREFURBIG-MWLCHTKSSA-N 1 2 210.346 2.306 10 30 BEEELO N#Cc1c(F)ccc([C@@H]2CCCC[NH2+]2)c1O ZINC000309516199 343662219 /nfs/dbraw/zinc/66/22/19/343662219.db2.gz YHZAEUNHOBEZLR-NSHDSACASA-N 1 2 220.247 2.218 10 30 BEEELO C[C@@H]1CS[C@H](c2ccccc2C#N)[NH2+]1 ZINC000235359466 344891884 /nfs/dbraw/zinc/89/18/84/344891884.db2.gz QGCRXOFRFXVEEW-LDYMZIIASA-N 1 2 204.298 2.282 10 30 BEEELO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000054829141 179097638 /nfs/dbraw/zinc/09/76/38/179097638.db2.gz NFARZPDPJUAWSB-WCQYABFASA-N 1 2 215.300 2.172 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000309575146 347107201 /nfs/dbraw/zinc/10/72/01/347107201.db2.gz ONUOBWAEWUHPDF-CMPLNLGQSA-N 1 2 219.263 2.003 10 30 BEEELO Cc1nc([C@H](C)[NH2+]C[C@@H](C)C#N)cs1 ZINC000054180878 180048465 /nfs/dbraw/zinc/04/84/65/180048465.db2.gz QUXNUKKKQSCVEZ-YUMQZZPRSA-N 1 2 209.318 2.262 10 30 BEEELO Cc1nc([C@H](C)[NH2+]CCC#N)c(C)s1 ZINC000020200231 180049904 /nfs/dbraw/zinc/04/99/04/180049904.db2.gz BYIHIVHQKCGYJQ-ZETCQYMHSA-N 1 2 209.318 2.324 10 30 BEEELO Cc1nccc(C[NH2+][C@@H]2CCCCC[C@@H]2C#N)n1 ZINC000054825893 180191130 /nfs/dbraw/zinc/19/11/30/180191130.db2.gz IOTDFEVSZNPIIA-TZMCWYRMSA-N 1 2 244.342 2.347 10 30 BEEELO Cc1nocc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000397880654 350985958 /nfs/dbraw/zinc/98/59/58/350985958.db2.gz MLIJLKSZDQBJQJ-ZYHUDNBSSA-N 1 2 219.288 2.155 10 30 BEEELO CC(C)[N@@H+]1CCOC[C@H]1c1ccccc1C#N ZINC000616641580 351149681 /nfs/dbraw/zinc/14/96/81/351149681.db2.gz JIPITNBRJDTLNY-AWEZNQCLSA-N 1 2 230.311 2.340 10 30 BEEELO CC(C)[N@H+]1CCOC[C@H]1c1ccccc1C#N ZINC000616641580 351149686 /nfs/dbraw/zinc/14/96/86/351149686.db2.gz JIPITNBRJDTLNY-AWEZNQCLSA-N 1 2 230.311 2.340 10 30 BEEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)nc1 ZINC000088135418 351624963 /nfs/dbraw/zinc/62/49/63/351624963.db2.gz WPSPVOXUBUMMLE-DGCLKSJQSA-N 1 2 215.300 2.172 10 30 BEEELO C[C@H](C#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224791074 363194063 /nfs/dbraw/zinc/19/40/63/363194063.db2.gz KHTCOYXDROKQHV-DGCLKSJQSA-N 1 2 200.285 2.388 10 30 BEEELO C[C@H](C#N)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224791074 363194065 /nfs/dbraw/zinc/19/40/65/363194065.db2.gz KHTCOYXDROKQHV-DGCLKSJQSA-N 1 2 200.285 2.388 10 30 BEEELO C=CCSc1[nH+]c(C)nc(NC)c1C ZINC000307692206 352957724 /nfs/dbraw/zinc/95/77/24/352957724.db2.gz RNUGPKIJNKUSHQ-UHFFFAOYSA-N 1 2 209.318 2.413 10 30 BEEELO N#CCC[C@@H]([NH3+])c1nc2ccccc2o1 ZINC000029463162 188010271 /nfs/dbraw/zinc/01/02/71/188010271.db2.gz RLLBVDHYVYZTLN-MRVPVSSYSA-N 1 2 201.229 2.131 10 30 BEEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000245544854 188019470 /nfs/dbraw/zinc/01/94/70/188019470.db2.gz SQVCGWBYPWWOBA-ZIAGYGMSSA-N 1 2 246.310 2.295 10 30 BEEELO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000245544854 188019472 /nfs/dbraw/zinc/01/94/72/188019472.db2.gz SQVCGWBYPWWOBA-ZIAGYGMSSA-N 1 2 246.310 2.295 10 30 BEEELO CCCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000160141009 353259747 /nfs/dbraw/zinc/25/97/47/353259747.db2.gz NPPHZSDLNABRTH-DGCLKSJQSA-N 1 2 232.331 2.075 10 30 BEEELO Cc1ccccc1SC[C@](C)([NH3+])C#N ZINC000045219864 188297659 /nfs/dbraw/zinc/29/76/59/188297659.db2.gz XRHIXXDERHCYRN-LLVKDONJSA-N 1 2 206.314 2.328 10 30 BEEELO C/C(=N\O)c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058824543 188302733 /nfs/dbraw/zinc/30/27/33/188302733.db2.gz ACIIDOUYUIKTPE-RIYZIHGNSA-N 1 2 219.219 2.210 10 30 BEEELO C=CCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131106723 353361980 /nfs/dbraw/zinc/36/19/80/353361980.db2.gz FLABAUAHFHYKIN-UHFFFAOYSA-N 1 2 235.331 2.122 10 30 BEEELO N#CCOc1ccc([NH2+]C[C@@H]2CCOC2)cc1 ZINC000020126537 181043913 /nfs/dbraw/zinc/04/39/13/181043913.db2.gz DDEDGNIMDBFTCM-NSHDSACASA-N 1 2 232.283 2.037 10 30 BEEELO N#CC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103954937 181044929 /nfs/dbraw/zinc/04/49/29/181044929.db2.gz JNQKAQHYZTVUPY-ZIAGYGMSSA-N 1 2 230.311 2.410 10 30 BEEELO N#CC[C@@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000083667127 181046138 /nfs/dbraw/zinc/04/61/38/181046138.db2.gz VGGZMDVUQQCMJM-NSHDSACASA-N 1 2 206.676 2.440 10 30 BEEELO N#C[C@@H]([NH3+])CCOc1ccc2ccccc2c1 ZINC000019666744 181055561 /nfs/dbraw/zinc/05/55/61/181055561.db2.gz PNMORGWVMGBMLT-ZDUSSCGKSA-N 1 2 226.279 2.460 10 30 BEEELO N#C[C@@H]([NH3+])CSc1ccccc1Cl ZINC000045363828 181056353 /nfs/dbraw/zinc/05/63/53/181056353.db2.gz PZQSQLIUFQESKS-SSDOTTSWSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@@H]([NH3+])COc1ccc2ccccc2c1 ZINC000019665974 181056402 /nfs/dbraw/zinc/05/64/02/181056402.db2.gz LJDATLVQSSKKMG-GFCCVEGCSA-N 1 2 212.252 2.069 10 30 BEEELO N#C[C@@H]([NH3+])COc1cccc2ccccc21 ZINC000019665980 181056530 /nfs/dbraw/zinc/05/65/30/181056530.db2.gz QHKCELNHKYPREA-LLVKDONJSA-N 1 2 212.252 2.069 10 30 BEEELO N#C[C@@H]([NH3+])COc1cc(Cl)cc(Cl)c1 ZINC000019666075 181056607 /nfs/dbraw/zinc/05/66/07/181056607.db2.gz IMFKVCXLLFBSFW-MRVPVSSYSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000035229592 181063353 /nfs/dbraw/zinc/06/33/53/181063353.db2.gz RVMGPMJVOPROMO-ZDUSSCGKSA-N 1 2 200.285 2.217 10 30 BEEELO N#C[C@H]([NH3+])COc1cccc2ccccc21 ZINC000019665982 181064794 /nfs/dbraw/zinc/06/47/94/181064794.db2.gz QHKCELNHKYPREA-NSHDSACASA-N 1 2 212.252 2.069 10 30 BEEELO N#Cc1ccc(COc2ccc[nH+]c2N)cc1 ZINC000026515103 181111021 /nfs/dbraw/zinc/11/10/21/181111021.db2.gz JUWCIQGUBLKIAJ-UHFFFAOYSA-N 1 2 225.251 2.114 10 30 BEEELO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C=O ZINC000054237954 181145833 /nfs/dbraw/zinc/14/58/33/181145833.db2.gz RBAKGXQPADYZMO-CQSZACIVSA-N 1 2 228.295 2.112 10 30 BEEELO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C=O ZINC000054237954 181145834 /nfs/dbraw/zinc/14/58/34/181145834.db2.gz RBAKGXQPADYZMO-CQSZACIVSA-N 1 2 228.295 2.112 10 30 BEEELO N/C(CCCOCc1ccccc1Cl)=[NH+]\O ZINC000019483636 181182529 /nfs/dbraw/zinc/18/25/29/181182529.db2.gz FRVKVMQRPYFWTG-UHFFFAOYSA-N 1 2 242.706 2.383 10 30 BEEELO N/C(CCCOc1cccc(Cl)c1)=[NH+]\O ZINC000019481860 181182679 /nfs/dbraw/zinc/18/26/79/181182679.db2.gz IRHBDJDCZVPBBT-UHFFFAOYSA-N 1 2 228.679 2.245 10 30 BEEELO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)o1 ZINC000350388124 366276275 /nfs/dbraw/zinc/27/62/75/366276275.db2.gz GROOHAIRCCEFGM-ZWNOBZJWSA-N 1 2 234.299 2.208 10 30 BEEELO C=C(Br)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000168274071 356709366 /nfs/dbraw/zinc/70/93/66/356709366.db2.gz BDXRFQJZUHUWKR-IUCAKERBSA-N 1 2 229.121 2.177 10 30 BEEELO COc1ccc2c(c1)C=C(C[C@H]([NH3+])C#N)CC2 ZINC000584626841 358296170 /nfs/dbraw/zinc/29/61/70/358296170.db2.gz ZKYIEEINERNGBV-ZDUSSCGKSA-N 1 2 228.295 2.266 10 30 BEEELO COc1ccc2c(c1)C=C(C[C@@H]([NH3+])C#N)CC2 ZINC000584626840 358296313 /nfs/dbraw/zinc/29/63/13/358296313.db2.gz ZKYIEEINERNGBV-CYBMUJFWSA-N 1 2 228.295 2.266 10 30 BEEELO COc1cccc(F)c1[C@@H](C)[NH2+]CCC#N ZINC000126870814 358557560 /nfs/dbraw/zinc/55/75/60/358557560.db2.gz JMUJHORSMVZRBS-SECBINFHSA-N 1 2 222.263 2.399 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000612584421 359896760 /nfs/dbraw/zinc/89/67/60/359896760.db2.gz HPLGHTHUJJZZHI-VHSXEESVSA-N 1 2 247.367 2.414 10 30 BEEELO COCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000087969401 359932141 /nfs/dbraw/zinc/93/21/41/359932141.db2.gz DBGQGXBFNDKAKF-UHFFFAOYSA-N 1 2 219.288 2.019 10 30 BEEELO Cc1c[nH+]cc(CC#N)c1OC(F)(F)F ZINC000238541038 361146472 /nfs/dbraw/zinc/14/64/72/361146472.db2.gz MCPONNQNFMGMIE-UHFFFAOYSA-N 1 2 216.162 2.355 10 30 BEEELO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000354651522 366805659 /nfs/dbraw/zinc/80/56/59/366805659.db2.gz BZUBWLNOSPDJRY-AAEUAGOBSA-N 1 2 232.331 2.246 10 30 BEEELO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000354651525 366805807 /nfs/dbraw/zinc/80/58/07/366805807.db2.gz BZUBWLNOSPDJRY-WCQYABFASA-N 1 2 232.331 2.246 10 30 BEEELO CC(C)n1nccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000354651524 366805844 /nfs/dbraw/zinc/80/58/44/366805844.db2.gz BZUBWLNOSPDJRY-DGCLKSJQSA-N 1 2 232.331 2.246 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192037741 365270477 /nfs/dbraw/zinc/27/04/77/365270477.db2.gz OVMOVNXXOTUMBQ-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192037741 365270481 /nfs/dbraw/zinc/27/04/81/365270481.db2.gz OVMOVNXXOTUMBQ-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2C#N)o1 ZINC000311831164 370440548 /nfs/dbraw/zinc/44/05/48/370440548.db2.gz LNOZWRNEUZKARE-VXGBXAGGSA-N 1 2 233.315 2.463 10 30 BEEELO C/C(=C/Cl)C[N@@H+]1CCCC[C@H]1C=O ZINC000232010686 372089366 /nfs/dbraw/zinc/08/93/66/372089366.db2.gz GACXPYKHOCBLDW-MBACFSSFSA-N 1 2 201.697 2.182 10 30 BEEELO C/C(=C/Cl)C[N@H+]1CCCC[C@H]1C=O ZINC000232010686 372089372 /nfs/dbraw/zinc/08/93/72/372089372.db2.gz GACXPYKHOCBLDW-MBACFSSFSA-N 1 2 201.697 2.182 10 30 BEEELO CCC[C@@H](C#N)C(=O)Nc1cc[nH+]cc1C ZINC000104345578 169343197 /nfs/dbraw/zinc/34/31/97/169343197.db2.gz MFCPHQUUKAMNPK-JTQLQIEISA-N 1 2 217.272 2.268 10 30 BEEELO Cc1cc[nH+]cc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000335599756 384370576 /nfs/dbraw/zinc/37/05/76/384370576.db2.gz OQYJHVNYJCDREX-GHMZBOCLSA-N 1 2 201.273 2.494 10 30 BEEELO Cc1cc(NC[C@@H](C)CCO)c(C#N)c(C)[nH+]1 ZINC000157456373 384479546 /nfs/dbraw/zinc/47/95/46/384479546.db2.gz MBDAGHBCMXTKGP-VIFPVBQESA-N 1 2 233.315 2.001 10 30 BEEELO Cc1cc(NC[C@@H]2CCC[C@@H]2O)c(C#N)c(C)[nH+]1 ZINC000157453726 384480208 /nfs/dbraw/zinc/48/02/08/384480208.db2.gz BECWLNUJCJLCNA-FZMZJTMJSA-N 1 2 245.326 2.143 10 30 BEEELO C[C@H]([NH2+]CCC#N)c1ccccc1[N+](=O)[O-] ZINC000020526275 384621583 /nfs/dbraw/zinc/62/15/83/384621583.db2.gz AHKGUUGGNGISDZ-VIFPVBQESA-N 1 2 219.244 2.159 10 30 BEEELO CCC[C@H](O)CNc1cc(C)[nH+]c(C)c1C#N ZINC000158081742 384821067 /nfs/dbraw/zinc/82/10/67/384821067.db2.gz UNKXRACGBZPKFI-NSHDSACASA-N 1 2 233.315 2.143 10 30 BEEELO CC[C@H](O)CCNc1cc(C)[nH+]c(C)c1C#N ZINC000158085538 384834022 /nfs/dbraw/zinc/83/40/22/384834022.db2.gz PFZLFJUPQLPYCT-NSHDSACASA-N 1 2 233.315 2.143 10 30 BEEELO CC(C)c1[nH+]c2c(n1C)CCN(CCCC#N)C2 ZINC000106370559 384912965 /nfs/dbraw/zinc/91/29/65/384912965.db2.gz CKSCJVHGKYKWTR-UHFFFAOYSA-N 1 2 246.358 2.205 10 30 BEEELO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152326191 385098806 /nfs/dbraw/zinc/09/88/06/385098806.db2.gz XBXYYXMIVRAONA-LBPRGKRZSA-N 1 2 238.718 2.287 10 30 BEEELO C=C(Cl)C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152326191 385098815 /nfs/dbraw/zinc/09/88/15/385098815.db2.gz XBXYYXMIVRAONA-LBPRGKRZSA-N 1 2 238.718 2.287 10 30 BEEELO Cc1cc(NCC2(O)CCCC2)c(C#N)c(C)[nH+]1 ZINC000156841965 385315198 /nfs/dbraw/zinc/31/51/98/385315198.db2.gz TZUDBCRDJKUKCW-UHFFFAOYSA-N 1 2 245.326 2.287 10 30 BEEELO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000054826250 385664531 /nfs/dbraw/zinc/66/45/31/385664531.db2.gz RMEVRALEXIFYOG-KOLCDFICSA-N 1 2 221.329 2.233 10 30 BEEELO C=CCC[NH+]=C1CN(C(=O)OC(C)(C)C)C1 ZINC000521399608 388704306 /nfs/dbraw/zinc/70/43/06/388704306.db2.gz MDQNNDSANFBZDY-UHFFFAOYSA-N 1 2 224.304 2.254 10 30 BEEELO CC#CC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121340007 134233220 /nfs/dbraw/zinc/23/32/20/134233220.db2.gz PXRCVEAHXWIJDM-LBPRGKRZSA-N 1 2 237.343 2.206 10 30 BEEELO CC#CC[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121340007 134233221 /nfs/dbraw/zinc/23/32/21/134233221.db2.gz PXRCVEAHXWIJDM-LBPRGKRZSA-N 1 2 237.343 2.206 10 30 BEEELO C[C@H](CC#N)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251576629 135071461 /nfs/dbraw/zinc/07/14/61/135071461.db2.gz NIIUARUVBAQQBR-DGCLKSJQSA-N 1 2 230.311 2.224 10 30 BEEELO C[C@H](CC#N)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251576629 135071462 /nfs/dbraw/zinc/07/14/62/135071462.db2.gz NIIUARUVBAQQBR-DGCLKSJQSA-N 1 2 230.311 2.224 10 30 BEEELO C#CC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000173703104 166188125 /nfs/dbraw/zinc/18/81/25/166188125.db2.gz SRRLETMJJXVIAA-UHFFFAOYSA-N 1 2 233.315 2.185 10 30 BEEELO C#Cc1cccc(NCc2[nH+]ccn2C)c1 ZINC000036896213 166223766 /nfs/dbraw/zinc/22/37/66/166223766.db2.gz YATMWYWGORNVTN-UHFFFAOYSA-N 1 2 211.268 2.014 10 30 BEEELO CC(C)(C)C1CCC(C#N)([NH2+]CCCO)CC1 ZINC000053708672 166541660 /nfs/dbraw/zinc/54/16/60/166541660.db2.gz VLNVALFNKOVALD-UHFFFAOYSA-N 1 2 238.375 2.457 10 30 BEEELO CC[NH2+][C@@](C)(C#N)CCn1ncc2ccccc21 ZINC000050527887 170155343 /nfs/dbraw/zinc/15/53/43/170155343.db2.gz LQROVYQOKIOPJH-CQSZACIVSA-N 1 2 242.326 2.318 10 30 BEEELO CC[NH2+][C@](C)(C#N)CCc1ccc2c(c1)OCO2 ZINC000020379581 170169474 /nfs/dbraw/zinc/16/94/74/170169474.db2.gz XBTXVHSUXWCMSY-AWEZNQCLSA-N 1 2 246.310 2.240 10 30 BEEELO CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000036769782 171093704 /nfs/dbraw/zinc/09/37/04/171093704.db2.gz YXSNCPDOVIQART-JHJVBQTASA-N 1 2 222.332 2.180 10 30 BEEELO CC[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000036769782 171093706 /nfs/dbraw/zinc/09/37/06/171093706.db2.gz YXSNCPDOVIQART-JHJVBQTASA-N 1 2 222.332 2.180 10 30 BEEELO COc1cccc(CC[NH2+][C@@H](C#N)C(C)C)c1 ZINC000057520980 175252967 /nfs/dbraw/zinc/25/29/67/175252967.db2.gz MATRFBRCNGCDJT-AWEZNQCLSA-N 1 2 232.327 2.375 10 30 BEEELO C[C@@H](CC#N)Nc1ccc([NH+](C)C)cc1 ZINC000037871501 175639395 /nfs/dbraw/zinc/63/93/95/175639395.db2.gz WGOZPLOFZGKUMI-JTQLQIEISA-N 1 2 203.289 2.467 10 30 BEEELO C[C@@H]1C[N@H+]([C@@H]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000037145768 177274985 /nfs/dbraw/zinc/27/49/85/177274985.db2.gz VINLMENBQALKNN-YVECIDJPSA-N 1 2 222.332 2.178 10 30 BEEELO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000037145768 177274986 /nfs/dbraw/zinc/27/49/86/177274986.db2.gz VINLMENBQALKNN-YVECIDJPSA-N 1 2 222.332 2.178 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000120776376 177297858 /nfs/dbraw/zinc/29/78/58/177297858.db2.gz XKZVNIURFIMJKD-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000120776376 177297859 /nfs/dbraw/zinc/29/78/59/177297859.db2.gz XKZVNIURFIMJKD-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000121424449 177300547 /nfs/dbraw/zinc/30/05/47/177300547.db2.gz KDWMREKUSLIXTA-QWRGUYRKSA-N 1 2 248.301 2.307 10 30 BEEELO N#C[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757168529 586432660 /nfs/dbraw/zinc/43/26/60/586432660.db2.gz ASNGMYPMMUIFSK-LURJTMIESA-N 1 2 216.693 2.017 10 30 BEEELO C=CC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000121494944 324014485 /nfs/dbraw/zinc/01/44/85/324014485.db2.gz YQQNYLYJFDSKNQ-UHFFFAOYSA-N 1 2 237.372 2.360 10 30 BEEELO C=CC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000121494944 324014486 /nfs/dbraw/zinc/01/44/86/324014486.db2.gz YQQNYLYJFDSKNQ-UHFFFAOYSA-N 1 2 237.372 2.360 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000088627220 491075912 /nfs/dbraw/zinc/07/59/12/491075912.db2.gz XZQDLEJFTYMWQW-WCQYABFASA-N 1 2 240.310 2.116 10 30 BEEELO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248818425 534442240 /nfs/dbraw/zinc/44/22/40/534442240.db2.gz IVMGXPZBCWBTMK-GARJFASQSA-N 1 2 243.734 2.012 10 30 BEEELO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248818425 534442245 /nfs/dbraw/zinc/44/22/45/534442245.db2.gz IVMGXPZBCWBTMK-GARJFASQSA-N 1 2 243.734 2.012 10 30 BEEELO CCc1ccc(CS[C@@H](C)[C@@H]([NH3+])C#N)o1 ZINC000757163956 582546176 /nfs/dbraw/zinc/54/61/76/582546176.db2.gz FYSOKNMDDOIWQK-KWQFWETISA-N 1 2 224.329 2.315 10 30 BEEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C(C)(C)CO1 ZINC000097139436 711448956 /nfs/dbraw/zinc/44/89/56/711448956.db2.gz GKPVBCRHQMYHPE-SNVBAGLBSA-N 1 2 234.299 2.151 10 30 BEEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C(C)(C)CO1 ZINC000097139436 711448961 /nfs/dbraw/zinc/44/89/61/711448961.db2.gz GKPVBCRHQMYHPE-SNVBAGLBSA-N 1 2 234.299 2.151 10 30 BEEELO Cc1coc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000718133469 712746875 /nfs/dbraw/zinc/74/68/75/712746875.db2.gz UPAZWDHNKVKGSH-JQWIXIFHSA-N 1 2 204.273 2.370 10 30 BEEELO CC(C)(C#N)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336268912 342797180 /nfs/dbraw/zinc/79/71/80/342797180.db2.gz XEMXXKHLKZUWSA-UHFFFAOYSA-N 1 2 236.359 2.306 10 30 BEEELO N#Cc1c(C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000142797498 343113004 /nfs/dbraw/zinc/11/30/04/343113004.db2.gz PSQCYMJXMOCWAO-UHFFFAOYSA-N 1 2 245.282 2.452 10 30 BEEELO CCc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)o1 ZINC000336813778 136270996 /nfs/dbraw/zinc/27/09/96/136270996.db2.gz DCOFCDCDKCSSNP-MNOVXSKESA-N 1 2 233.315 2.327 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335285437 136293039 /nfs/dbraw/zinc/29/30/39/136293039.db2.gz WJGKABGWXBDTBX-CABZTGNLSA-N 1 2 219.263 2.003 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054828660 136373073 /nfs/dbraw/zinc/37/30/73/136373073.db2.gz OWZIPAVHVVZYRO-CMPLNLGQSA-N 1 2 245.282 2.377 10 30 BEEELO COc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054825485 344471851 /nfs/dbraw/zinc/47/18/51/344471851.db2.gz PZNCQUQSWKXAOH-WCQYABFASA-N 1 2 245.326 2.262 10 30 BEEELO Cc1cc(NC[C@@H]2CCCO2)c(C#N)c(C)[nH+]1 ZINC000156535062 345173987 /nfs/dbraw/zinc/17/39/87/345173987.db2.gz GGQRNXPRXZCRGG-NSHDSACASA-N 1 2 231.299 2.161 10 30 BEEELO Cc1ncc(C[N@@H+]2CCCC[C@H]2C=O)s1 ZINC000062337827 346240492 /nfs/dbraw/zinc/24/04/92/346240492.db2.gz IUTOVRPCFDZKRL-JTQLQIEISA-N 1 2 224.329 2.005 10 30 BEEELO Cc1ncc(C[N@H+]2CCCC[C@H]2C=O)s1 ZINC000062337827 346240494 /nfs/dbraw/zinc/24/04/94/346240494.db2.gz IUTOVRPCFDZKRL-JTQLQIEISA-N 1 2 224.329 2.005 10 30 BEEELO Cc1cc2[nH+]cn(CCC=O)c2cc1C ZINC000062542176 346279084 /nfs/dbraw/zinc/27/90/84/346279084.db2.gz BROSROTWTFEGOF-UHFFFAOYSA-N 1 2 202.257 2.242 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000309575148 347107152 /nfs/dbraw/zinc/10/71/52/347107152.db2.gz ONUOBWAEWUHPDF-PWSUYJOCSA-N 1 2 219.263 2.003 10 30 BEEELO Cc1ccccc1N[C@@]1(C#N)CC[N@@H+](C)C1 ZINC000061990905 179307258 /nfs/dbraw/zinc/30/72/58/179307258.db2.gz DDWBXMJFTOWOEB-CYBMUJFWSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1ccccc1N[C@@]1(C#N)CC[N@H+](C)C1 ZINC000061990905 179307261 /nfs/dbraw/zinc/30/72/61/179307261.db2.gz DDWBXMJFTOWOEB-CYBMUJFWSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1nc([C@@H](C)[NH2+]C[C@@H](C)C#N)cs1 ZINC000054180876 180037129 /nfs/dbraw/zinc/03/71/29/180037129.db2.gz QUXNUKKKQSCVEZ-JGVFFNPUSA-N 1 2 209.318 2.262 10 30 BEEELO C=C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000306696724 350848221 /nfs/dbraw/zinc/84/82/21/350848221.db2.gz XWCURCWBYFQOOE-SNVBAGLBSA-N 1 2 209.314 2.307 10 30 BEEELO Cc1nocc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000397880649 350985746 /nfs/dbraw/zinc/98/57/46/350985746.db2.gz MLIJLKSZDQBJQJ-CMPLNLGQSA-N 1 2 219.288 2.155 10 30 BEEELO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCCCCC1=O ZINC000063087583 351097784 /nfs/dbraw/zinc/09/77/84/351097784.db2.gz KAPCHTIBKIXPRR-WDEREUQCSA-N 1 2 208.305 2.122 10 30 BEEELO C[C@@H](CC#N)[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000063087583 351097787 /nfs/dbraw/zinc/09/77/87/351097787.db2.gz KAPCHTIBKIXPRR-WDEREUQCSA-N 1 2 208.305 2.122 10 30 BEEELO CCn1cc[nH+]c1C1=CC(=O)C[C@@H](C)C1 ZINC000307055927 353052069 /nfs/dbraw/zinc/05/20/69/353052069.db2.gz ZNGZAYZJIXZYOE-VIFPVBQESA-N 1 2 204.273 2.285 10 30 BEEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000091978935 188145046 /nfs/dbraw/zinc/14/50/46/188145046.db2.gz SQVCGWBYPWWOBA-UONOGXRCSA-N 1 2 246.310 2.295 10 30 BEEELO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000091978935 188145048 /nfs/dbraw/zinc/14/50/48/188145048.db2.gz SQVCGWBYPWWOBA-UONOGXRCSA-N 1 2 246.310 2.295 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000070797524 353262637 /nfs/dbraw/zinc/26/26/37/353262637.db2.gz RVQFOXOOAIDZPH-CMPLNLGQSA-N 1 2 219.288 2.073 10 30 BEEELO C[C@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000134076392 353457798 /nfs/dbraw/zinc/45/77/98/353457798.db2.gz HPGSOCHCPIQCKC-STQMWFEESA-N 1 2 247.313 2.286 10 30 BEEELO C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H](C)O1 ZINC000191870151 353514738 /nfs/dbraw/zinc/51/47/38/353514738.db2.gz PGKIFOGIHFGLBV-ZIAGYGMSSA-N 1 2 229.323 2.147 10 30 BEEELO C[C@H]1C[NH+](CC#Cc2ccccc2)C[C@H](C)O1 ZINC000191870139 353515013 /nfs/dbraw/zinc/51/50/13/353515013.db2.gz PGKIFOGIHFGLBV-KBPBESRZSA-N 1 2 229.323 2.147 10 30 BEEELO N#CC1([NH2+]C[C@@H]2CCCO2)CCCCCC1 ZINC000037939990 181030802 /nfs/dbraw/zinc/03/08/02/181030802.db2.gz UEKXNRXNHSEHNV-LBPRGKRZSA-N 1 2 222.332 2.372 10 30 BEEELO N#CC[C@H]1[NH2+]CCc2cccc(Cl)c21 ZINC000083661215 181046718 /nfs/dbraw/zinc/04/67/18/181046718.db2.gz NTOHZZLLTYNDEJ-SNVBAGLBSA-N 1 2 206.676 2.440 10 30 BEEELO N#C[C@H]([NH3+])CCSc1cc(F)ccc1F ZINC000062456573 181064847 /nfs/dbraw/zinc/06/48/47/181064847.db2.gz XTEMTKASDXNXOJ-MRVPVSSYSA-N 1 2 228.267 2.298 10 30 BEEELO N#CC1=C(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000100358134 181060918 /nfs/dbraw/zinc/06/09/18/181060918.db2.gz QSSWMSRTOGQASW-GFCCVEGCSA-N 1 2 213.284 2.052 10 30 BEEELO N#CC1=C(N)CC[N@H+](Cc2ccccc2)C1 ZINC000100358134 181060919 /nfs/dbraw/zinc/06/09/19/181060919.db2.gz QSSWMSRTOGQASW-GFCCVEGCSA-N 1 2 213.284 2.052 10 30 BEEELO N#C[C@@]1(Nc2cccc(F)c2)CC[N@@H+](C2CC2)C1 ZINC000061990890 181062447 /nfs/dbraw/zinc/06/24/47/181062447.db2.gz AAUPOLFKRGVZDU-AWEZNQCLSA-N 1 2 245.301 2.368 10 30 BEEELO N#C[C@@]1(Nc2cccc(F)c2)CC[N@H+](C2CC2)C1 ZINC000061990890 181062448 /nfs/dbraw/zinc/06/24/48/181062448.db2.gz AAUPOLFKRGVZDU-AWEZNQCLSA-N 1 2 245.301 2.368 10 30 BEEELO N#C[C@]1(Nc2cccc(F)c2)CC[N@@H+](C2CC2)C1 ZINC000061990891 181071620 /nfs/dbraw/zinc/07/16/20/181071620.db2.gz AAUPOLFKRGVZDU-CQSZACIVSA-N 1 2 245.301 2.368 10 30 BEEELO N#C[C@]1(Nc2cccc(F)c2)CC[N@H+](C2CC2)C1 ZINC000061990891 181071622 /nfs/dbraw/zinc/07/16/22/181071622.db2.gz AAUPOLFKRGVZDU-CQSZACIVSA-N 1 2 245.301 2.368 10 30 BEEELO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121640326 358484919 /nfs/dbraw/zinc/48/49/19/358484919.db2.gz MEMHBYVDWUWKRA-LLVKDONJSA-N 1 2 233.319 2.026 10 30 BEEELO N#CCCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121640326 358484926 /nfs/dbraw/zinc/48/49/26/358484926.db2.gz MEMHBYVDWUWKRA-LLVKDONJSA-N 1 2 233.319 2.026 10 30 BEEELO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121640326 358484931 /nfs/dbraw/zinc/48/49/31/358484931.db2.gz MEMHBYVDWUWKRA-LLVKDONJSA-N 1 2 233.319 2.026 10 30 BEEELO N#CCCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121640326 358484935 /nfs/dbraw/zinc/48/49/35/358484935.db2.gz MEMHBYVDWUWKRA-LLVKDONJSA-N 1 2 233.319 2.026 10 30 BEEELO N#Cc1cccc(Oc2cc[nH+]cc2N)c1 ZINC000020370800 181143659 /nfs/dbraw/zinc/14/36/59/181143659.db2.gz ZQFRFVBRHHFQFG-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO N#Cc1ccccc1COc1ccc[nH+]c1N ZINC000026515105 181147380 /nfs/dbraw/zinc/14/73/80/181147380.db2.gz PXGQVCZYHLYZIQ-UHFFFAOYSA-N 1 2 225.251 2.114 10 30 BEEELO N/C(CCCCOc1ccc(F)c(F)c1)=[NH+]/O ZINC000049580489 181182501 /nfs/dbraw/zinc/18/25/01/181182501.db2.gz BRQDIHXGMDDLMK-UHFFFAOYSA-N 1 2 244.241 2.260 10 30 BEEELO COCc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000350388121 366276284 /nfs/dbraw/zinc/27/62/84/366276284.db2.gz GROOHAIRCCEFGM-GWCFXTLKSA-N 1 2 234.299 2.208 10 30 BEEELO CCn1ccnc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000385257176 357034358 /nfs/dbraw/zinc/03/43/58/357034358.db2.gz XBAWUUDPTMFJGU-NWDGAFQWSA-N 1 2 232.331 2.075 10 30 BEEELO CCn1cc[nH+]c1CN[C@@H]1CCCC[C@H]1C#N ZINC000385257176 357034363 /nfs/dbraw/zinc/03/43/63/357034363.db2.gz XBAWUUDPTMFJGU-NWDGAFQWSA-N 1 2 232.331 2.075 10 30 BEEELO Cc1ccc([C@@H](O)C/[NH+]=C/c2ccc[nH]2)cc1 ZINC000584596148 358253862 /nfs/dbraw/zinc/25/38/62/358253862.db2.gz SQBOZJLGJUZFFM-AHSSXEFNSA-N 1 2 228.295 2.476 10 30 BEEELO COc1cccc(F)c1[C@H](C)[NH2+]CCC#N ZINC000126870573 358557539 /nfs/dbraw/zinc/55/75/39/358557539.db2.gz JMUJHORSMVZRBS-VIFPVBQESA-N 1 2 222.263 2.399 10 30 BEEELO N#CCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127586148 358564092 /nfs/dbraw/zinc/56/40/92/358564092.db2.gz PGLPNBJKNSAVPX-AWEZNQCLSA-N 1 2 246.310 2.069 10 30 BEEELO N#CCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127586148 358564098 /nfs/dbraw/zinc/56/40/98/358564098.db2.gz PGLPNBJKNSAVPX-AWEZNQCLSA-N 1 2 246.310 2.069 10 30 BEEELO CCc1nc(C[NH2+][C@H]2CCC[C@H]2C#N)cs1 ZINC000132443301 358723466 /nfs/dbraw/zinc/72/34/66/358723466.db2.gz IFBZCXINVRQSON-ONGXEEELSA-N 1 2 235.356 2.487 10 30 BEEELO Cc1[nH+]ccc(OC(F)(F)F)c1CC#N ZINC000238491516 361128380 /nfs/dbraw/zinc/12/83/80/361128380.db2.gz NNDULTRQIWIKJJ-UHFFFAOYSA-N 1 2 216.162 2.355 10 30 BEEELO Cc1cc(N2CCS[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335508733 384296546 /nfs/dbraw/zinc/29/65/46/384296546.db2.gz ASQCRQFCLCNKSR-JTQLQIEISA-N 1 2 233.340 2.203 10 30 BEEELO Cc1cc(N(C)C[C@H]2CCCO2)c(C#N)c(C)[nH+]1 ZINC000157405070 384423443 /nfs/dbraw/zinc/42/34/43/384423443.db2.gz ZTMDLUWDQWYBOA-GFCCVEGCSA-N 1 2 245.326 2.185 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599282 384386773 /nfs/dbraw/zinc/38/67/73/384386773.db2.gz KHTCOYXDROKQHV-AAEUAGOBSA-N 1 2 200.285 2.388 10 30 BEEELO C[C@@H](C#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599282 384386779 /nfs/dbraw/zinc/38/67/79/384386779.db2.gz KHTCOYXDROKQHV-AAEUAGOBSA-N 1 2 200.285 2.388 10 30 BEEELO Cc1cc(NC[C@H]2CCCOC2)c(C#N)c(C)[nH+]1 ZINC000157421963 384448791 /nfs/dbraw/zinc/44/87/91/384448791.db2.gz HFHGZHWNYABSIS-GFCCVEGCSA-N 1 2 245.326 2.409 10 30 BEEELO O[C@H](C/[NH+]=C/c1ccc[nH]1)c1ccccc1 ZINC000238685064 385259285 /nfs/dbraw/zinc/25/92/85/385259285.db2.gz CVXHBDLIUBKMSO-OZYJXZHSSA-N 1 2 214.268 2.167 10 30 BEEELO Cc1csc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000054825971 385664576 /nfs/dbraw/zinc/66/45/76/385664576.db2.gz APWXALLCTNYXFG-VHSXEESVSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1cnc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000399519452 386954996 /nfs/dbraw/zinc/95/49/96/386954996.db2.gz QFQWMESFFAJFLT-SNVBAGLBSA-N 1 2 242.282 2.153 10 30 BEEELO C[C@H]1C[C@H](C)CN(c2ccc(/C(N)=[NH+]/O)cc2)C1 ZINC000019865820 132327814 /nfs/dbraw/zinc/32/78/14/132327814.db2.gz GAEIMAJFMSOREW-QWRGUYRKSA-N 1 2 247.342 2.263 10 30 BEEELO C[C@@H]1C[C@@H](C)CN(c2ccc(/C(N)=[NH+]/O)cc2)C1 ZINC000019865810 132328028 /nfs/dbraw/zinc/32/80/28/132328028.db2.gz GAEIMAJFMSOREW-GHMZBOCLSA-N 1 2 247.342 2.263 10 30 BEEELO Cc1cccc(N2CC[NH+](C[C@H](C)C#N)CC2)c1 ZINC000031945832 132334619 /nfs/dbraw/zinc/33/46/19/132334619.db2.gz QMIRBXNURUJNEB-CQSZACIVSA-N 1 2 243.354 2.277 10 30 BEEELO C[C@H](CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000048208960 132355163 /nfs/dbraw/zinc/35/51/63/132355163.db2.gz ICFPUVWIFZINIK-GFCCVEGCSA-N 1 2 247.317 2.250 10 30 BEEELO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC#N)n1 ZINC000369901035 134223445 /nfs/dbraw/zinc/22/34/45/134223445.db2.gz SDVBPCJITSHAIE-ZDUSSCGKSA-N 1 2 244.342 2.180 10 30 BEEELO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC#N)n1 ZINC000369901035 134223446 /nfs/dbraw/zinc/22/34/46/134223446.db2.gz SDVBPCJITSHAIE-ZDUSSCGKSA-N 1 2 244.342 2.180 10 30 BEEELO C[C@H](CC#N)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000063095384 134395951 /nfs/dbraw/zinc/39/59/51/134395951.db2.gz HIXDKTBCXSKOGH-LLVKDONJSA-N 1 2 247.298 2.371 10 30 BEEELO C[C@H](CC#N)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000063095384 134395952 /nfs/dbraw/zinc/39/59/52/134395952.db2.gz HIXDKTBCXSKOGH-LLVKDONJSA-N 1 2 247.298 2.371 10 30 BEEELO C[C@H](C#N)C[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251145319 135065251 /nfs/dbraw/zinc/06/52/51/135065251.db2.gz XCRLRNJEOOAAGY-DGCLKSJQSA-N 1 2 230.311 2.082 10 30 BEEELO C[C@H](C#N)C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251145319 135065252 /nfs/dbraw/zinc/06/52/52/135065252.db2.gz XCRLRNJEOOAAGY-DGCLKSJQSA-N 1 2 230.311 2.082 10 30 BEEELO C=CC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119341605 166354901 /nfs/dbraw/zinc/35/49/01/166354901.db2.gz OANOUVHJGXTDJO-CQSZACIVSA-N 1 2 233.311 2.255 10 30 BEEELO C=CC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119341605 166354903 /nfs/dbraw/zinc/35/49/03/166354903.db2.gz OANOUVHJGXTDJO-CQSZACIVSA-N 1 2 233.311 2.255 10 30 BEEELO CCNc1cc(C[N@H+](CC)CCC#N)ccn1 ZINC000052727924 170172095 /nfs/dbraw/zinc/17/20/95/170172095.db2.gz KXPUJMKVTDJPDN-UHFFFAOYSA-N 1 2 232.331 2.249 10 30 BEEELO CCNc1cc(C[N@@H+](CC)CCC#N)ccn1 ZINC000052727924 170172096 /nfs/dbraw/zinc/17/20/96/170172096.db2.gz KXPUJMKVTDJPDN-UHFFFAOYSA-N 1 2 232.331 2.249 10 30 BEEELO CC[C@H](C#N)N1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000104063752 171219093 /nfs/dbraw/zinc/21/90/93/171219093.db2.gz DRORXYVVMLDRNX-CYBMUJFWSA-N 1 2 247.342 2.008 10 30 BEEELO C[N@@H+]1CC[C@](C#N)(Nc2cccc(Cl)c2)C1 ZINC000061990893 173163561 /nfs/dbraw/zinc/16/35/61/173163561.db2.gz FGYWQZKPUFHCOT-GFCCVEGCSA-N 1 2 235.718 2.350 10 30 BEEELO C[N@H+]1CC[C@](C#N)(Nc2cccc(Cl)c2)C1 ZINC000061990893 173163564 /nfs/dbraw/zinc/16/35/64/173163564.db2.gz FGYWQZKPUFHCOT-GFCCVEGCSA-N 1 2 235.718 2.350 10 30 BEEELO C[C@@H]1CCCC[C@@H]1OCCC/C(N)=[NH+]/O ZINC000019511820 176082477 /nfs/dbraw/zinc/08/24/77/176082477.db2.gz KVTNNEXUWPMIIX-ZJUUUORDSA-N 1 2 214.309 2.108 10 30 BEEELO C[C@@H]1C[NH+]([C@@H]2CCCC[C@@H]2C#N)C[C@@H](C)O1 ZINC000037145770 176315635 /nfs/dbraw/zinc/31/56/35/176315635.db2.gz VINLMENBQALKNN-FDYHWXHSSA-N 1 2 222.332 2.178 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000088627218 491075863 /nfs/dbraw/zinc/07/58/63/491075863.db2.gz XZQDLEJFTYMWQW-DGCLKSJQSA-N 1 2 240.310 2.116 10 30 BEEELO C/[NH+]=C(\c1ccccc1)C1(O)CCCC1 ZINC000102203690 518571677 /nfs/dbraw/zinc/57/16/77/518571677.db2.gz OGPWHHILMYHQFU-WYMLVPIESA-N 1 2 203.285 2.411 10 30 BEEELO CCc1ccc(CSCC[C@@H]([NH3+])C#N)o1 ZINC000757166832 582548121 /nfs/dbraw/zinc/54/81/21/582548121.db2.gz SINWFGFMHFIOCZ-SECBINFHSA-N 1 2 224.329 2.316 10 30 BEEELO Cc1coc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000718133472 712747155 /nfs/dbraw/zinc/74/71/55/712747155.db2.gz UPAZWDHNKVKGSH-PWSUYJOCSA-N 1 2 204.273 2.370 10 30 BEEELO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)no1 ZINC000054827875 178032759 /nfs/dbraw/zinc/03/27/59/178032759.db2.gz FQUCOXZNEKEIEB-ZYHUDNBSSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C#N)on1 ZINC000054828017 178040045 /nfs/dbraw/zinc/04/00/45/178040045.db2.gz RNXJFTRHJDUHLB-JQWIXIFHSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)c(C#N)c(C)[nH+]1 ZINC000128766661 178184673 /nfs/dbraw/zinc/18/46/73/178184673.db2.gz HNBKRAFUQMQIOG-OLZOCXBDSA-N 1 2 245.326 2.141 10 30 BEEELO C[C@H]1C[NH+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000127019686 342814339 /nfs/dbraw/zinc/81/43/39/342814339.db2.gz WTROGBXDDVESFF-UWVGGRQHSA-N 1 2 236.340 2.229 10 30 BEEELO C[C@@H](C#N)C[N@H+](Cc1ccco1)C1CC1 ZINC000042692992 344462242 /nfs/dbraw/zinc/46/22/42/344462242.db2.gz NHOHERPYFYPSQK-JTQLQIEISA-N 1 2 204.273 2.404 10 30 BEEELO C[C@@H](C#N)C[N@@H+](Cc1ccco1)C1CC1 ZINC000042692992 344462245 /nfs/dbraw/zinc/46/22/45/344462245.db2.gz NHOHERPYFYPSQK-JTQLQIEISA-N 1 2 204.273 2.404 10 30 BEEELO COc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054825483 344471709 /nfs/dbraw/zinc/47/17/09/344471709.db2.gz PZNCQUQSWKXAOH-DGCLKSJQSA-N 1 2 245.326 2.262 10 30 BEEELO Cc1cc(N2CCC3(CC3)C2)c(C#N)c[nH+]1 ZINC000400388227 344566463 /nfs/dbraw/zinc/56/64/63/344566463.db2.gz MICDCOIBXLLDFF-UHFFFAOYSA-N 1 2 213.284 2.252 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361910 344709269 /nfs/dbraw/zinc/70/92/69/344709269.db2.gz AGZXTORGHDRPTC-JSGCOSHPSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@@H](C#N)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361910 344709271 /nfs/dbraw/zinc/70/92/71/344709271.db2.gz AGZXTORGHDRPTC-JSGCOSHPSA-N 1 2 241.338 2.035 10 30 BEEELO N#Cc1sc(NCc2c[nH+]c[nH]2)nc1Cl ZINC000236042328 346186678 /nfs/dbraw/zinc/18/66/78/346186678.db2.gz INNULIIXVLMPJQ-UHFFFAOYSA-N 1 2 239.691 2.003 10 30 BEEELO N#Cc1sc(NCc2c[nH]c[nH+]2)nc1Cl ZINC000236042328 346186679 /nfs/dbraw/zinc/18/66/79/346186679.db2.gz INNULIIXVLMPJQ-UHFFFAOYSA-N 1 2 239.691 2.003 10 30 BEEELO C=C(Br)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000307206317 349250998 /nfs/dbraw/zinc/25/09/98/349250998.db2.gz KMXQLFMUTDHYMA-NXEZZACHSA-N 1 2 246.148 2.148 10 30 BEEELO C=C(Br)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000307206317 349251002 /nfs/dbraw/zinc/25/10/02/349251002.db2.gz KMXQLFMUTDHYMA-NXEZZACHSA-N 1 2 246.148 2.148 10 30 BEEELO C=C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000306696723 350848325 /nfs/dbraw/zinc/84/83/25/350848325.db2.gz XWCURCWBYFQOOE-JTQLQIEISA-N 1 2 209.314 2.307 10 30 BEEELO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2C#N)o1 ZINC000397939548 350993966 /nfs/dbraw/zinc/99/39/66/350993966.db2.gz ZAIJTTYHQUCHIF-JQWIXIFHSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2C#N)o1 ZINC000397939547 350993987 /nfs/dbraw/zinc/99/39/87/350993987.db2.gz ZAIJTTYHQUCHIF-CMPLNLGQSA-N 1 2 219.288 2.155 10 30 BEEELO CCn1cc[nH+]c1C1=CC(=O)C[C@H](C)C1 ZINC000307055766 351455827 /nfs/dbraw/zinc/45/58/27/351455827.db2.gz ZNGZAYZJIXZYOE-SECBINFHSA-N 1 2 204.273 2.285 10 30 BEEELO CN1CC[N@@H+]([C@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432933 351745464 /nfs/dbraw/zinc/74/54/64/351745464.db2.gz SMIOSJVGBJETND-KBPBESRZSA-N 1 2 233.359 2.015 10 30 BEEELO CN1CC[N@H+]([C@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432933 351745465 /nfs/dbraw/zinc/74/54/65/351745465.db2.gz SMIOSJVGBJETND-KBPBESRZSA-N 1 2 233.359 2.015 10 30 BEEELO CN1CC[N@@H+]([C@@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432936 351745612 /nfs/dbraw/zinc/74/56/12/351745612.db2.gz SMIOSJVGBJETND-ZIAGYGMSSA-N 1 2 233.359 2.015 10 30 BEEELO CN1CC[N@H+]([C@@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432936 351745613 /nfs/dbraw/zinc/74/56/13/351745613.db2.gz SMIOSJVGBJETND-ZIAGYGMSSA-N 1 2 233.359 2.015 10 30 BEEELO CC1CC(=[NH+]n2cc(Br)cn2)C1 ZINC000307249990 351757602 /nfs/dbraw/zinc/75/76/02/351757602.db2.gz PCXBJAQQJNTEPW-UHFFFAOYSA-N 1 2 228.093 2.280 10 30 BEEELO N#C[C@]1([NH2+]C2CCCCC2)CCSC1 ZINC000037969256 188115782 /nfs/dbraw/zinc/11/57/82/188115782.db2.gz AAAGOCHRGOGTBE-LLVKDONJSA-N 1 2 210.346 2.308 10 30 BEEELO N#C[C@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590452 188128265 /nfs/dbraw/zinc/12/82/65/188128265.db2.gz QDWFOHDMPOYCID-LLVKDONJSA-N 1 2 210.346 2.308 10 30 BEEELO N#CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000055015812 181044985 /nfs/dbraw/zinc/04/49/85/181044985.db2.gz MWKNGRJYOADZTQ-ZIAGYGMSSA-N 1 2 230.311 2.410 10 30 BEEELO N#CC[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000103954943 181046198 /nfs/dbraw/zinc/04/61/98/181046198.db2.gz JNQKAQHYZTVUPY-KGLIPLIRSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@@H](C[NH+]1CCC2(CCCC2)CC1)NC1CC1 ZINC000062956087 181054836 /nfs/dbraw/zinc/05/48/36/181054836.db2.gz WXGRYCBYDNGGBN-AWEZNQCLSA-N 1 2 247.386 2.287 10 30 BEEELO N#C[C@@H]([NH3+])COc1ccc(Cl)c(Cl)c1 ZINC000019666081 181056441 /nfs/dbraw/zinc/05/64/41/181056441.db2.gz DOKLZHVHXJZJFR-ZCFIWIBFSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H](Cc1cccs1)[NH+]1CCCC1 ZINC000041215235 181063878 /nfs/dbraw/zinc/06/38/78/181063878.db2.gz OQIBBTGJNUIUFB-JTQLQIEISA-N 1 2 206.314 2.279 10 30 BEEELO N#C[C@H]([NH3+])COc1c(Cl)cccc1Cl ZINC000019666054 181064514 /nfs/dbraw/zinc/06/45/14/181064514.db2.gz RIBBCTNHJDHPKX-LURJTMIESA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])CCOc1ccc2c(c1)CCCC2 ZINC000019666700 181064654 /nfs/dbraw/zinc/06/46/54/181064654.db2.gz LEJFESLYIZALQU-CYBMUJFWSA-N 1 2 230.311 2.185 10 30 BEEELO N#C[C@H]([NH3+])CSc1nc2ccccc2s1 ZINC000045333667 181065232 /nfs/dbraw/zinc/06/52/32/181065232.db2.gz WYCSXPMBKLJYOE-ZETCQYMHSA-N 1 2 235.337 2.239 10 30 BEEELO N#C[C@@]1(Nc2cccc(F)c2)C[NH+]2CCC1CC2 ZINC000037937121 181062564 /nfs/dbraw/zinc/06/25/64/181062564.db2.gz LXCKOHLTCNJSEI-CQSZACIVSA-N 1 2 245.301 2.226 10 30 BEEELO N#C[C@]1(Nc2ccccc2)C[NH+]2CCC1CC2 ZINC000037935402 181071554 /nfs/dbraw/zinc/07/15/54/181071554.db2.gz PYYPCBHVPPCIMJ-AWEZNQCLSA-N 1 2 227.311 2.086 10 30 BEEELO N#Cc1ccc(OCCCc2c[nH]c[nH+]2)cc1 ZINC000001536439 181127807 /nfs/dbraw/zinc/12/78/07/181127807.db2.gz XQNBJFUWFIHAMW-UHFFFAOYSA-N 1 2 227.267 2.293 10 30 in-vivo BEEELO N#Cc1ccc(OCCCc2c[nH+]c[nH]2)cc1 ZINC000001536439 181127809 /nfs/dbraw/zinc/12/78/09/181127809.db2.gz XQNBJFUWFIHAMW-UHFFFAOYSA-N 1 2 227.267 2.293 10 30 in-vivo BEEELO N#Cc1cccc(OCc2ccc[nH+]c2N)c1 ZINC000052754676 181142405 /nfs/dbraw/zinc/14/24/05/181142405.db2.gz LAJMQLVJODHCPI-UHFFFAOYSA-N 1 2 225.251 2.114 10 30 BEEELO N/C(=[NH+]\O)c1ccc(N2CCCCCC2)cc1 ZINC000019865671 181181782 /nfs/dbraw/zinc/18/17/82/181181782.db2.gz LLILBUGVDCEQTK-UHFFFAOYSA-N 1 2 233.315 2.162 10 30 BEEELO COc1cc(C#N)c(/[NH+]=C(\C)N(C)C)cc1OC ZINC000039618078 358231360 /nfs/dbraw/zinc/23/13/60/358231360.db2.gz BMQJSTINNBYOFH-OQLLNIDSSA-N 1 2 247.298 2.187 10 30 BEEELO C[S+](C)c1c[nH]c2ccc(C#N)cc21 ZINC000584609468 358271123 /nfs/dbraw/zinc/27/11/23/358271123.db2.gz QKOBRRBVWBIEBR-UHFFFAOYSA-N 1 2 203.290 2.276 10 30 BEEELO C[C@@H]1C[C@@](C#N)(N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000306254133 359465363 /nfs/dbraw/zinc/46/53/63/359465363.db2.gz UCAAAVBXTDLRPO-HIFRSBDPSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@@H]1C[C@@](C#N)(N(C)C)C[N@H+]1Cc1ccccc1 ZINC000306254133 359465367 /nfs/dbraw/zinc/46/53/67/359465367.db2.gz UCAAAVBXTDLRPO-HIFRSBDPSA-N 1 2 243.354 2.105 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000612584422 359896776 /nfs/dbraw/zinc/89/67/76/359896776.db2.gz HPLGHTHUJJZZHI-ZJUUUORDSA-N 1 2 247.367 2.414 10 30 BEEELO C[C@@]([NH3+])(C#N)CSc1ncccc1Cl ZINC000070615727 361631831 /nfs/dbraw/zinc/63/18/31/361631831.db2.gz BOXNXVFWLLNZJC-SECBINFHSA-N 1 2 227.720 2.068 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192037747 365270278 /nfs/dbraw/zinc/27/02/78/365270278.db2.gz OVMOVNXXOTUMBQ-QWRGUYRKSA-N 1 2 248.301 2.307 10 30 BEEELO N#CCC[NH+]1CCC(c2ccco2)CC1 ZINC000057492405 369396863 /nfs/dbraw/zinc/39/68/63/369396863.db2.gz JDJBRXJRIZSTIT-UHFFFAOYSA-N 1 2 204.273 2.373 10 30 BEEELO Cc1cc(N[C@H]2CC[C@H](O)CC2)c(C#N)c(C)[nH+]1 ZINC000252702388 370117295 /nfs/dbraw/zinc/11/72/95/370117295.db2.gz HIMAIYUCPMAKHR-HAQNSBGRSA-N 1 2 245.326 2.286 10 30 BEEELO CCCN[C@H](C#N)C[NH+]1CCC(CCC)CC1 ZINC000050905502 169283968 /nfs/dbraw/zinc/28/39/68/169283968.db2.gz IMGJIXJSNGLBLX-CQSZACIVSA-N 1 2 237.391 2.390 10 30 BEEELO CC[N@H+](CC#N)C[C@H]1Cc2ccccc21 ZINC000090976999 384079705 /nfs/dbraw/zinc/07/97/05/384079705.db2.gz CQNCNPNXLSLOPE-GFCCVEGCSA-N 1 2 200.285 2.172 10 30 BEEELO CC[N@@H+](CC#N)C[C@H]1Cc2ccccc21 ZINC000090976999 384079712 /nfs/dbraw/zinc/07/97/12/384079712.db2.gz CQNCNPNXLSLOPE-GFCCVEGCSA-N 1 2 200.285 2.172 10 30 BEEELO Cc1cc(NCc2ccon2)c(C#N)c(C)[nH+]1 ZINC000148797708 384550354 /nfs/dbraw/zinc/55/03/54/384550354.db2.gz IVINHSBJMMFCBH-UHFFFAOYSA-N 1 2 228.255 2.170 10 30 BEEELO CC[N@@H+](CC#Cc1ccccc1)CCC#N ZINC000051814461 384687867 /nfs/dbraw/zinc/68/78/67/384687867.db2.gz KDFLGBIFNLGDFC-UHFFFAOYSA-N 1 2 212.296 2.274 10 30 BEEELO CC[N@H+](CC#Cc1ccccc1)CCC#N ZINC000051814461 384687874 /nfs/dbraw/zinc/68/78/74/384687874.db2.gz KDFLGBIFNLGDFC-UHFFFAOYSA-N 1 2 212.296 2.274 10 30 BEEELO Cc1cc(N(C)C[C@@H]2CCCO2)c(C#N)c(C)[nH+]1 ZINC000157404911 385165407 /nfs/dbraw/zinc/16/54/07/385165407.db2.gz ZTMDLUWDQWYBOA-LBPRGKRZSA-N 1 2 245.326 2.185 10 30 BEEELO C=CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511905 387923528 /nfs/dbraw/zinc/92/35/28/387923528.db2.gz RCGJGSUAOWLYBG-GFCCVEGCSA-N 1 2 246.358 2.327 10 30 BEEELO C=CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511905 387923530 /nfs/dbraw/zinc/92/35/30/387923530.db2.gz RCGJGSUAOWLYBG-GFCCVEGCSA-N 1 2 246.358 2.327 10 30 BEEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000245544852 388423240 /nfs/dbraw/zinc/42/32/40/388423240.db2.gz SQVCGWBYPWWOBA-KGLIPLIRSA-N 1 2 246.310 2.295 10 30 BEEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000245544852 388423243 /nfs/dbraw/zinc/42/32/43/388423243.db2.gz SQVCGWBYPWWOBA-KGLIPLIRSA-N 1 2 246.310 2.295 10 30 BEEELO C=C[C@@H]([NH2+]C)c1ncsc1Br ZINC000575453663 388752607 /nfs/dbraw/zinc/75/26/07/388752607.db2.gz CRNZNNHHMODVNZ-RXMQYKEDSA-N 1 2 233.134 2.352 10 30 BEEELO CC[C@H]([NH2+][C@H](C)CC#N)c1nccs1 ZINC000070634247 135000793 /nfs/dbraw/zinc/00/07/93/135000793.db2.gz XYSLRFUJXPQOGB-BDAKNGLRSA-N 1 2 209.318 2.486 10 30 BEEELO CC(C)[NH2+][C@]1(C#N)CCc2ccccc2C1 ZINC000037460387 167142026 /nfs/dbraw/zinc/14/20/26/167142026.db2.gz MARKEKJTFZXOJS-CQSZACIVSA-N 1 2 214.312 2.436 10 30 BEEELO C=CC[N@@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750621 166358434 /nfs/dbraw/zinc/35/84/34/166358434.db2.gz OOIQGFLBWNLAJF-ZDUSSCGKSA-N 1 2 248.282 2.154 10 30 BEEELO C=CC[N@H+]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750621 166358436 /nfs/dbraw/zinc/35/84/36/166358436.db2.gz OOIQGFLBWNLAJF-ZDUSSCGKSA-N 1 2 248.282 2.154 10 30 BEEELO CC1CCC(C#N)([NH2+]C[C@@H]2CCCO2)CC1 ZINC000037939986 168148926 /nfs/dbraw/zinc/14/89/26/168148926.db2.gz UXDBYSCODUPOEC-CPCZMJQVSA-N 1 2 222.332 2.227 10 30 BEEELO CC[C@@H]1CC[C@H](C#N)[C@H]([NH+]2CCOCC2)C1 ZINC000037145625 171046316 /nfs/dbraw/zinc/04/63/16/171046316.db2.gz UCIBGSGEPMSBJP-JHJVBQTASA-N 1 2 222.332 2.037 10 30 BEEELO CCc1[nH+]c2ccccc2n1[C@@H](C)C/C(N)=N/O ZINC000062807729 172014545 /nfs/dbraw/zinc/01/45/45/172014545.db2.gz UAWNSCMOEJDAQV-VIFPVBQESA-N 1 2 246.314 2.296 10 30 BEEELO C[N@@H+]1CC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 ZINC000061990872 173136990 /nfs/dbraw/zinc/13/69/90/173136990.db2.gz LPEMKTIXYBWIBN-LBPRGKRZSA-N 1 2 235.718 2.350 10 30 BEEELO C[N@H+]1CC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 ZINC000061990872 173136992 /nfs/dbraw/zinc/13/69/92/173136992.db2.gz LPEMKTIXYBWIBN-LBPRGKRZSA-N 1 2 235.718 2.350 10 30 BEEELO COc1ccc(CC[C@](C)(C#N)[NH+](C)C)cc1 ZINC000037846625 175093846 /nfs/dbraw/zinc/09/38/46/175093846.db2.gz CJMCIHJIPCBHDF-CQSZACIVSA-N 1 2 232.327 2.472 10 30 BEEELO COc1ccc([NH2+][C@H](C)CC#N)c(OC)c1 ZINC000032013629 175154795 /nfs/dbraw/zinc/15/47/95/175154795.db2.gz BIOCYJKQCQATMT-SECBINFHSA-N 1 2 220.272 2.418 10 30 BEEELO COc1ccccc1CC[NH2+][C@@H](C#N)C(C)C ZINC000057520970 175323405 /nfs/dbraw/zinc/32/34/05/175323405.db2.gz OQHFIPUPZRXKER-ZDUSSCGKSA-N 1 2 232.327 2.375 10 30 BEEELO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517462 176303462 /nfs/dbraw/zinc/30/34/62/176303462.db2.gz GZDSBOHVWUMGLU-SNVBAGLBSA-N 1 2 234.299 2.151 10 30 BEEELO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517462 176303463 /nfs/dbraw/zinc/30/34/63/176303463.db2.gz GZDSBOHVWUMGLU-SNVBAGLBSA-N 1 2 234.299 2.151 10 30 BEEELO Cc1ccoc1CS[C@@H](C)[C@@H]([NH3+])C#N ZINC000757163145 582545480 /nfs/dbraw/zinc/54/54/80/582545480.db2.gz CLIBKIUMPFIQHZ-IUCAKERBSA-N 1 2 210.302 2.061 10 30 BEEELO Cc1ccc(C2=CC(=O)C[C@@](C)(O)C2)c(C)[nH+]1 ZINC000040538555 524230669 /nfs/dbraw/zinc/23/06/69/524230669.db2.gz WHFJHEMDVSMOPC-AWEZNQCLSA-N 1 2 231.295 2.196 10 30 BEEELO C[C@@H](CC#N)[NH2+]c1ccc2c(c1)CCN2C ZINC000757134108 582510280 /nfs/dbraw/zinc/51/02/80/582510280.db2.gz WESMPBSLYQNAAS-JTQLQIEISA-N 1 2 215.300 2.393 10 30 BEEELO C[C@]([NH3+])(C#N)CSCc1ccc(Cl)o1 ZINC000757169719 582550175 /nfs/dbraw/zinc/55/01/75/582550175.db2.gz LZMSHFVSQUUQAY-VIFPVBQESA-N 1 2 230.720 2.407 10 30 BEEELO N#C[C@@H]([NH3+])CCSCc1ccc(Cl)o1 ZINC000757162033 586431896 /nfs/dbraw/zinc/43/18/96/586431896.db2.gz AUGIIBHZJWUTCN-ZETCQYMHSA-N 1 2 230.720 2.407 10 30 BEEELO C[C@@H](C#N)C[N@H+](C)CC#Cc1ccccc1 ZINC000051814463 136209890 /nfs/dbraw/zinc/20/98/90/136209890.db2.gz IDMCCBIZVUYWOC-ZDUSSCGKSA-N 1 2 212.296 2.130 10 30 BEEELO C[C@@H](C#N)C[N@@H+](C)CC#Cc1ccccc1 ZINC000051814463 136209891 /nfs/dbraw/zinc/20/98/91/136209891.db2.gz IDMCCBIZVUYWOC-ZDUSSCGKSA-N 1 2 212.296 2.130 10 30 BEEELO CC(C)CC[N@H+](CCC#N)Cc1cncnc1 ZINC000119163482 136212846 /nfs/dbraw/zinc/21/28/46/136212846.db2.gz GREOETHGEMCCFD-UHFFFAOYSA-N 1 2 232.331 2.238 10 30 BEEELO CC(C)CC[N@@H+](CCC#N)Cc1cncnc1 ZINC000119163482 136212847 /nfs/dbraw/zinc/21/28/47/136212847.db2.gz GREOETHGEMCCFD-UHFFFAOYSA-N 1 2 232.331 2.238 10 30 BEEELO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)on1 ZINC000054828009 178032859 /nfs/dbraw/zinc/03/28/59/178032859.db2.gz RNXJFTRHJDUHLB-ZYHUDNBSSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc(NCC2(CO)CCC2)c(C#N)c(C)[nH+]1 ZINC000302090243 178156248 /nfs/dbraw/zinc/15/62/48/178156248.db2.gz AVYKLBNDKUBRTF-UHFFFAOYSA-N 1 2 245.326 2.145 10 30 BEEELO Cc1cc(NC[C@H](O)CC(C)C)c(C#N)c(C)[nH+]1 ZINC000227593457 178169161 /nfs/dbraw/zinc/16/91/61/178169161.db2.gz IECNYSQLOJQMOO-GFCCVEGCSA-N 1 2 247.342 2.389 10 30 BEEELO Cc1cc(N[C@@H]2CCO[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000149793322 178183200 /nfs/dbraw/zinc/18/32/00/178183200.db2.gz LMPANHTUJQFCRN-ZYHUDNBSSA-N 1 2 231.299 2.159 10 30 BEEELO Cc1cc(N[C@H](C)CCCO)c(C#N)c(C)[nH+]1 ZINC000125469992 178185697 /nfs/dbraw/zinc/18/56/97/178185697.db2.gz ZGKJJITVSKFONM-SECBINFHSA-N 1 2 233.315 2.143 10 30 BEEELO Cc1cc(Nc2cn[nH]c2)c(C#N)c(C)[nH+]1 ZINC000301797369 178193251 /nfs/dbraw/zinc/19/32/51/178193251.db2.gz UJVCKZCRMJEBDV-UHFFFAOYSA-N 1 2 213.244 2.037 10 30 BEEELO O=C(NCc1c[nH+]c[nH]1)C1(C2CC2)CCOCC1 ZINC000329737349 136260947 /nfs/dbraw/zinc/26/09/47/136260947.db2.gz MBQSRDUJYLCHNR-UHFFFAOYSA-N 1 2 249.314 2.073 10 30 BEEELO O=C(NCc1c[nH]c[nH+]1)C1(C2CC2)CCOCC1 ZINC000329737349 136260948 /nfs/dbraw/zinc/26/09/48/136260948.db2.gz MBQSRDUJYLCHNR-UHFFFAOYSA-N 1 2 249.314 2.073 10 30 BEEELO C[C@H](C#N)C[N@@H+]1CCc2ccccc2C1 ZINC000031945869 343226609 /nfs/dbraw/zinc/22/66/09/343226609.db2.gz ZRTISBCGBZHVPY-LLVKDONJSA-N 1 2 200.285 2.204 10 30 BEEELO C[C@H](C#N)C[N@H+]1CCc2ccccc2C1 ZINC000031945869 343226610 /nfs/dbraw/zinc/22/66/10/343226610.db2.gz ZRTISBCGBZHVPY-LLVKDONJSA-N 1 2 200.285 2.204 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054828657 136373118 /nfs/dbraw/zinc/37/31/18/136373118.db2.gz OWZIPAVHVVZYRO-PWSUYJOCSA-N 1 2 245.282 2.377 10 30 BEEELO C[C@H](C#N)C[N@H+](Cc1ccco1)C1CC1 ZINC000042692991 344462681 /nfs/dbraw/zinc/46/26/81/344462681.db2.gz NHOHERPYFYPSQK-SNVBAGLBSA-N 1 2 204.273 2.404 10 30 BEEELO C[C@H](C#N)C[N@@H+](Cc1ccco1)C1CC1 ZINC000042692991 344462683 /nfs/dbraw/zinc/46/26/83/344462683.db2.gz NHOHERPYFYPSQK-SNVBAGLBSA-N 1 2 204.273 2.404 10 30 BEEELO N#C[C@@]1([NH3+])CCc2cc(Br)ccc21 ZINC000127567400 344564387 /nfs/dbraw/zinc/56/43/87/344564387.db2.gz FPFWBQICAUNCBH-JTQLQIEISA-N 1 2 237.100 2.073 10 30 BEEELO Cc1ccc(N[C@@]2(C#N)C[NH+]3CCC2CC3)cc1 ZINC000037935654 178773874 /nfs/dbraw/zinc/77/38/74/178773874.db2.gz UAXPZRPVTRYNFU-HNNXBMFYSA-N 1 2 241.338 2.395 10 30 BEEELO Cc1ccc([C@@H]2C[N@H+](CCCC#N)CCO2)o1 ZINC000158942077 345390294 /nfs/dbraw/zinc/39/02/94/345390294.db2.gz JXNBGPQHVXMUBT-ZDUSSCGKSA-N 1 2 234.299 2.265 10 30 BEEELO Cc1ccc([C@@H]2C[N@@H+](CCCC#N)CCO2)o1 ZINC000158942077 345390296 /nfs/dbraw/zinc/39/02/96/345390296.db2.gz JXNBGPQHVXMUBT-ZDUSSCGKSA-N 1 2 234.299 2.265 10 30 BEEELO CN(C)C=[NH+]c1nc2ccc(O)cc2s1 ZINC000256013036 345764839 /nfs/dbraw/zinc/76/48/39/345764839.db2.gz YFJJQIUNFRZYIL-UHFFFAOYSA-N 1 2 221.285 2.223 10 30 BEEELO C#CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019875593 187370161 /nfs/dbraw/zinc/37/01/61/187370161.db2.gz WTPRYKPXNPHUNH-UHFFFAOYSA-N 1 2 230.094 2.422 10 30 BEEELO Cc1cccc(N[C@@]2(C#N)CC[N@@H+](C)C2)c1 ZINC000061990885 179155864 /nfs/dbraw/zinc/15/58/64/179155864.db2.gz CXFDVTQAZINANP-CYBMUJFWSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1cccc(N[C@@]2(C#N)CC[N@H+](C)C2)c1 ZINC000061990885 179155868 /nfs/dbraw/zinc/15/58/68/179155868.db2.gz CXFDVTQAZINANP-CYBMUJFWSA-N 1 2 215.300 2.005 10 30 BEEELO CC(=O)C[C@@H]1CCCCC[N@H+]1[C@H](C)C#N ZINC000251059483 362834755 /nfs/dbraw/zinc/83/47/55/362834755.db2.gz UZDBMTUUSQPVDN-PWSUYJOCSA-N 1 2 208.305 2.122 10 30 BEEELO CC(=O)C[C@@H]1CCCCC[N@@H+]1[C@H](C)C#N ZINC000251059483 362834759 /nfs/dbraw/zinc/83/47/59/362834759.db2.gz UZDBMTUUSQPVDN-PWSUYJOCSA-N 1 2 208.305 2.122 10 30 BEEELO Cc1ccccc1CSC[C@@H]([NH3+])C#N ZINC000054964619 179287891 /nfs/dbraw/zinc/28/78/91/179287891.db2.gz LMDRJCGXFXYQQU-NSHDSACASA-N 1 2 206.314 2.079 10 30 BEEELO N#C[C@@H]1CCCC[C@H]1NCc1c[nH+]c2n1CCC2 ZINC000597195588 348672098 /nfs/dbraw/zinc/67/20/98/348672098.db2.gz KQRVBHYKIHGQJQ-WCQYABFASA-N 1 2 244.342 2.001 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000092339551 362945723 /nfs/dbraw/zinc/94/57/23/362945723.db2.gz PKJWUFBFJLYCNU-YPMHNXCESA-N 1 2 233.315 2.463 10 30 BEEELO COC(=O)C(C)(C)CCCC#CCn1cc[nH+]c1 ZINC000039320258 350115105 /nfs/dbraw/zinc/11/51/05/350115105.db2.gz GXPIFKIKYPFTJY-UHFFFAOYSA-N 1 2 248.326 2.256 10 30 BEEELO Cc1[nH+]c2cc(Cl)ccn2c1CC#N ZINC000074376834 180080342 /nfs/dbraw/zinc/08/03/42/180080342.db2.gz NBBVKJDDJBAEKE-UHFFFAOYSA-N 1 2 205.648 2.362 10 30 BEEELO Cc1[nH+]c[nH]c1CNc1ccc(C#N)cc1 ZINC000054793850 180121650 /nfs/dbraw/zinc/12/16/50/180121650.db2.gz ZBHPMNMRYLCZLI-UHFFFAOYSA-N 1 2 212.256 2.202 10 30 BEEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)nc1 ZINC000088135421 351625038 /nfs/dbraw/zinc/62/50/38/351625038.db2.gz WPSPVOXUBUMMLE-WCQYABFASA-N 1 2 215.300 2.172 10 30 BEEELO N#CCC[NH2+][C@H]1CCOc2ccccc21 ZINC000020200000 188175436 /nfs/dbraw/zinc/17/54/36/188175436.db2.gz GIYJJAUWFLRRKT-NSHDSACASA-N 1 2 202.257 2.013 10 30 BEEELO N#CC1([NH2+]C2CCCC2)CCSCC1 ZINC000041048801 181030373 /nfs/dbraw/zinc/03/03/73/181030373.db2.gz MCQZSQVIQHTNQC-UHFFFAOYSA-N 1 2 210.346 2.308 10 30 BEEELO N#CCCN(Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000042549200 181037672 /nfs/dbraw/zinc/03/76/72/181037672.db2.gz XGCFTUYXTQPFCI-UHFFFAOYSA-N 1 2 240.310 2.212 10 30 BEEELO N#CC[C@H]1[NH2+]CCc2cc(Cl)ccc21 ZINC000083661216 181047537 /nfs/dbraw/zinc/04/75/37/181047537.db2.gz BQXBMVRPOUAPKI-LLVKDONJSA-N 1 2 206.676 2.440 10 30 BEEELO N#CC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000055015810 181045916 /nfs/dbraw/zinc/04/59/16/181045916.db2.gz MWKNGRJYOADZTQ-KBPBESRZSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@H]([NH3+])CSc1ccc2c(c1)CCC2 ZINC000045365704 181064977 /nfs/dbraw/zinc/06/49/77/181064977.db2.gz NFPHQWYHDPXVKT-NSHDSACASA-N 1 2 218.325 2.118 10 30 BEEELO N#C[C@H]([NH3+])COc1ccc(Cl)cc1Cl ZINC000019666066 181065019 /nfs/dbraw/zinc/06/50/19/181065019.db2.gz GKWNCLSFINWHNH-ZETCQYMHSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])CCOc1ccc2ccccc2c1 ZINC000019666747 181065062 /nfs/dbraw/zinc/06/50/62/181065062.db2.gz PNMORGWVMGBMLT-CYBMUJFWSA-N 1 2 226.279 2.460 10 30 BEEELO N#CC1(C[N@@H+]2CCOC3(CCCC3)C2)CCC1 ZINC000334576162 354107995 /nfs/dbraw/zinc/10/79/95/354107995.db2.gz IOYVSNQDSVQJOR-UHFFFAOYSA-N 1 2 234.343 2.325 10 30 BEEELO N#CC1(C[N@H+]2CCOC3(CCCC3)C2)CCC1 ZINC000334576162 354107997 /nfs/dbraw/zinc/10/79/97/354107997.db2.gz IOYVSNQDSVQJOR-UHFFFAOYSA-N 1 2 234.343 2.325 10 30 BEEELO N#Cc1cc(NCc2[nH]cc[nH+]2)ccc1F ZINC000051636236 181091917 /nfs/dbraw/zinc/09/19/17/181091917.db2.gz XPQFFGHJUWBXCW-UHFFFAOYSA-N 1 2 216.219 2.033 10 30 BEEELO N#Cc1cccc(Oc2cc(N)cc[nH+]2)c1 ZINC000043569502 181143253 /nfs/dbraw/zinc/14/32/53/181143253.db2.gz HOCXAJVHUCVQMT-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO N#Cc1ccccc1Oc1cc[nH+]cc1N ZINC000020370694 181150198 /nfs/dbraw/zinc/15/01/98/181150198.db2.gz ACKMTLKAJGTDKX-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO Cc1cc(N[C@H]2C[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000087975100 356382947 /nfs/dbraw/zinc/38/29/47/356382947.db2.gz QCZRFLILNFFKLY-HQJQHLMTSA-N 1 2 201.273 2.390 10 30 BEEELO CN1CC[N@@H+](CC2CCCCCC2)C[C@H]1C#N ZINC000336433329 134147248 /nfs/dbraw/zinc/14/72/48/134147248.db2.gz XIVGIKCZACGCON-CQSZACIVSA-N 1 2 235.375 2.096 10 30 BEEELO N#CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000060473974 358926121 /nfs/dbraw/zinc/92/61/21/358926121.db2.gz VFTIATATQDMENF-QMMMGPOBSA-N 1 2 206.211 2.174 10 30 BEEELO N#CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000060473974 358926124 /nfs/dbraw/zinc/92/61/24/358926124.db2.gz VFTIATATQDMENF-QMMMGPOBSA-N 1 2 206.211 2.174 10 30 BEEELO CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000090209192 360065813 /nfs/dbraw/zinc/06/58/13/360065813.db2.gz HHSBFRFEMXFNHC-DGCLKSJQSA-N 1 2 232.331 2.246 10 30 BEEELO O=C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000054237737 369060415 /nfs/dbraw/zinc/06/04/15/369060415.db2.gz OYNKHZQALHAUBW-NSHDSACASA-N 1 2 209.314 2.302 10 30 BEEELO O=C[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC000054237737 369060423 /nfs/dbraw/zinc/06/04/23/369060423.db2.gz OYNKHZQALHAUBW-NSHDSACASA-N 1 2 209.314 2.302 10 30 BEEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000404322287 369426709 /nfs/dbraw/zinc/42/67/09/369426709.db2.gz RNVQQYVXBANFQL-KOLCDFICSA-N 1 2 221.329 2.315 10 30 BEEELO CC#CC[NH2+]Cc1cccc(Cl)c1O ZINC000162731921 371835005 /nfs/dbraw/zinc/83/50/05/371835005.db2.gz RXEZZPMVXQYRQF-UHFFFAOYSA-N 1 2 209.676 2.159 10 30 BEEELO C#C[C@H]([NH2+]CC)c1ncccc1Br ZINC000133255187 372012700 /nfs/dbraw/zinc/01/27/00/372012700.db2.gz RFCURCOLVUXLEV-VIFPVBQESA-N 1 2 239.116 2.128 10 30 BEEELO CCCN[C@@H](C#N)C[NH+]1CCC(CCC)CC1 ZINC000050905504 169273619 /nfs/dbraw/zinc/27/36/19/169273619.db2.gz IMGJIXJSNGLBLX-AWEZNQCLSA-N 1 2 237.391 2.390 10 30 BEEELO N#CCc1c[nH+]c2cccc(Br)n12 ZINC000036291676 383893082 /nfs/dbraw/zinc/89/30/82/383893082.db2.gz PEJFULAKSPSWHO-UHFFFAOYSA-N 1 2 236.072 2.163 10 30 BEEELO CCC[C@@H](O)CNc1cc(C)[nH+]c(C)c1C#N ZINC000158081889 384856248 /nfs/dbraw/zinc/85/62/48/384856248.db2.gz UNKXRACGBZPKFI-LLVKDONJSA-N 1 2 233.315 2.143 10 30 BEEELO N#CCC[NH+]1CCC(c2ccccn2)CC1 ZINC000057497441 384949901 /nfs/dbraw/zinc/94/99/01/384949901.db2.gz KVPBADJQABFMDY-UHFFFAOYSA-N 1 2 215.300 2.175 10 30 BEEELO C[N@H+](Cc1ccccn1)CC1(C#N)CCC1 ZINC000259018709 384955494 /nfs/dbraw/zinc/95/54/94/384955494.db2.gz YEBLCMLUBOWXHX-UHFFFAOYSA-N 1 2 215.300 2.207 10 30 BEEELO C[N@@H+](Cc1ccccn1)CC1(C#N)CCC1 ZINC000259018709 384955500 /nfs/dbraw/zinc/95/55/00/384955500.db2.gz YEBLCMLUBOWXHX-UHFFFAOYSA-N 1 2 215.300 2.207 10 30 BEEELO CC#CCC[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000157121643 385082180 /nfs/dbraw/zinc/08/21/80/385082180.db2.gz PLYUYPBRDJKIHT-AWEZNQCLSA-N 1 2 233.311 2.375 10 30 BEEELO CC#CCC[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000157121643 385082187 /nfs/dbraw/zinc/08/21/87/385082187.db2.gz PLYUYPBRDJKIHT-AWEZNQCLSA-N 1 2 233.311 2.375 10 30 BEEELO C#CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195369617 387910165 /nfs/dbraw/zinc/91/01/65/387910165.db2.gz WJEIZFLIOGVMOZ-SNVBAGLBSA-N 1 2 206.314 2.303 10 30 BEEELO C#CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195369617 387910171 /nfs/dbraw/zinc/91/01/71/387910171.db2.gz WJEIZFLIOGVMOZ-SNVBAGLBSA-N 1 2 206.314 2.303 10 30 BEEELO CC#CC[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276155147 388738830 /nfs/dbraw/zinc/73/88/30/388738830.db2.gz ZUQZXDLLYCUTGP-AWEZNQCLSA-N 1 2 243.354 2.449 10 30 BEEELO CC#CC[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276155147 388738833 /nfs/dbraw/zinc/73/88/33/388738833.db2.gz ZUQZXDLLYCUTGP-AWEZNQCLSA-N 1 2 243.354 2.449 10 30 BEEELO CCOCCCNc1cc(C)[nH+]c(C)c1C#N ZINC000157379957 388832678 /nfs/dbraw/zinc/83/26/78/388832678.db2.gz GVUMYKHVNUNGAT-UHFFFAOYSA-N 1 2 233.315 2.409 10 30 BEEELO C[C@@H]1CCCN(c2ccc(/C(N)=[NH+]/O)cc2)C1 ZINC000019865664 132327860 /nfs/dbraw/zinc/32/78/60/132327860.db2.gz IBQSCDLZHXJRJY-SNVBAGLBSA-N 1 2 233.315 2.017 10 30 BEEELO CN1CC[N@H+](CC2CCCCCC2)C[C@H]1C#N ZINC000336433329 134147247 /nfs/dbraw/zinc/14/72/47/134147247.db2.gz XIVGIKCZACGCON-CQSZACIVSA-N 1 2 235.375 2.096 10 30 BEEELO C[C@@H](CC#N)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000063095381 134396087 /nfs/dbraw/zinc/39/60/87/134396087.db2.gz HIXDKTBCXSKOGH-NSHDSACASA-N 1 2 247.298 2.371 10 30 BEEELO C[C@@H](CC#N)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000063095381 134396088 /nfs/dbraw/zinc/39/60/88/134396088.db2.gz HIXDKTBCXSKOGH-NSHDSACASA-N 1 2 247.298 2.371 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000381896081 397815560 /nfs/dbraw/zinc/81/55/60/397815560.db2.gz STWVDAJMHSTMGF-WDEREUQCSA-N 1 2 219.288 2.073 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2C#N)o1 ZINC000381896070 397815748 /nfs/dbraw/zinc/81/57/48/397815748.db2.gz STWVDAJMHSTMGF-MNOVXSKESA-N 1 2 219.288 2.073 10 30 BEEELO C#CC[NH2+][C@](CC)(C[C@@H](C)CC)C(=O)OCC ZINC000051965308 166192735 /nfs/dbraw/zinc/19/27/35/166192735.db2.gz VVHMRMBLDPVXSE-GXTWGEPZSA-N 1 2 239.359 2.357 10 30 BEEELO CC(C)[NH2+][C@H](C#N)CCn1cnc2ccccc21 ZINC000062440132 167135881 /nfs/dbraw/zinc/13/58/81/167135881.db2.gz YOGACXYAUVQBTK-LBPRGKRZSA-N 1 2 242.326 2.317 10 30 BEEELO CC(C)[NH2+][C@H](C#N)CCN1CCc2ccccc21 ZINC000062368376 167136273 /nfs/dbraw/zinc/13/62/73/167136273.db2.gz VPYCEVXUJWINEJ-AWEZNQCLSA-N 1 2 243.354 2.329 10 30 BEEELO CC(C)Nc1[nH]c2cc(C#N)ccc2[nH+]1 ZINC000045238631 167149146 /nfs/dbraw/zinc/14/91/46/167149146.db2.gz DWAVQKWBNZZZRO-UHFFFAOYSA-N 1 2 200.245 2.255 10 30 BEEELO CC(C)Nc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000045238631 167149148 /nfs/dbraw/zinc/14/91/48/167149148.db2.gz DWAVQKWBNZZZRO-UHFFFAOYSA-N 1 2 200.245 2.255 10 30 BEEELO CCNc1cc(C[N@H+](CCC#N)C2CC2)ccn1 ZINC000052726545 170171822 /nfs/dbraw/zinc/17/18/22/170171822.db2.gz XOFFYGYXZTUYJC-UHFFFAOYSA-N 1 2 244.342 2.391 10 30 BEEELO CCNc1cc(C[N@@H+](CCC#N)C2CC2)ccn1 ZINC000052726545 170171825 /nfs/dbraw/zinc/17/18/25/170171825.db2.gz XOFFYGYXZTUYJC-UHFFFAOYSA-N 1 2 244.342 2.391 10 30 BEEELO CCNc1ncccc1C[N@H+](C)C[C@H](C)C#N ZINC000052725098 170178573 /nfs/dbraw/zinc/17/85/73/170178573.db2.gz AMFAZQKJDXMSMW-LLVKDONJSA-N 1 2 232.331 2.105 10 30 BEEELO CCNc1ncccc1C[N@@H+](C)C[C@H](C)C#N ZINC000052725098 170178574 /nfs/dbraw/zinc/17/85/74/170178574.db2.gz AMFAZQKJDXMSMW-LLVKDONJSA-N 1 2 232.331 2.105 10 30 BEEELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042450710 171109281 /nfs/dbraw/zinc/10/92/81/171109281.db2.gz HINXCFMLXIDZPH-UMSGYPCISA-N 1 2 222.332 2.178 10 30 BEEELO CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCC[C@@H]1C#N ZINC000042450710 171109284 /nfs/dbraw/zinc/10/92/84/171109284.db2.gz HINXCFMLXIDZPH-UMSGYPCISA-N 1 2 222.332 2.178 10 30 BEEELO CCn1c2ccccc2nc1C[NH2+]C[C@@H](C)C#N ZINC000052684657 172145056 /nfs/dbraw/zinc/14/50/56/172145056.db2.gz YRQUWOLYJHEMTP-NSHDSACASA-N 1 2 242.326 2.305 10 30 BEEELO CCn1cc[nH+]c1CNc1ccccc1C#N ZINC000051920874 172226426 /nfs/dbraw/zinc/22/64/26/172226426.db2.gz ATAOZYFDYUEMJF-UHFFFAOYSA-N 1 2 226.283 2.387 10 30 BEEELO CN(C)/C=[NH+]/c1ccc(Cl)cc1C#N ZINC000111873484 172352352 /nfs/dbraw/zinc/35/23/52/172352352.db2.gz MHRWOIFPYHVBPV-NTUHNPAUSA-N 1 2 207.664 2.433 10 30 BEEELO C[NH2+][C@@](C)(C#N)CCCn1ncc2ccccc21 ZINC000050527936 173440453 /nfs/dbraw/zinc/44/04/53/173440453.db2.gz UQBDRIVXPOBSPF-CQSZACIVSA-N 1 2 242.326 2.318 10 30 BEEELO COc1ccc([NH2+][C@@H](C)CC#N)c(OC)c1 ZINC000032013628 175153267 /nfs/dbraw/zinc/15/32/67/175153267.db2.gz BIOCYJKQCQATMT-VIFPVBQESA-N 1 2 220.272 2.418 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000120916514 176346885 /nfs/dbraw/zinc/34/68/85/176346885.db2.gz QURWOTFCZRSVLU-GHMZBOCLSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@H](OCCC/C(N)=[NH+]/O)c1ccccc1 ZINC000019519480 177021278 /nfs/dbraw/zinc/02/12/78/177021278.db2.gz QMNOQSALJSGOJB-JTQLQIEISA-N 1 2 222.288 2.291 10 30 BEEELO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517582 177261528 /nfs/dbraw/zinc/26/15/28/177261528.db2.gz GZDSBOHVWUMGLU-JTQLQIEISA-N 1 2 234.299 2.151 10 30 BEEELO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517582 177261530 /nfs/dbraw/zinc/26/15/30/177261530.db2.gz GZDSBOHVWUMGLU-JTQLQIEISA-N 1 2 234.299 2.151 10 30 BEEELO Cc1ccoc1CS[C@H](C)[C@@H]([NH3+])C#N ZINC000757163130 582545630 /nfs/dbraw/zinc/54/56/30/582545630.db2.gz CLIBKIUMPFIQHZ-BDAKNGLRSA-N 1 2 210.302 2.061 10 30 BEEELO C=CCN(c1ccc([C@@H](C)O)c[nH+]1)C1CC1 ZINC000124952234 590103374 /nfs/dbraw/zinc/10/33/74/590103374.db2.gz CZHVKKRYIYLFNT-SNVBAGLBSA-N 1 2 218.300 2.290 10 30 BEEELO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(O)c1 ZINC000137278068 592164303 /nfs/dbraw/zinc/16/43/03/592164303.db2.gz TYDQSJIYEFMIBK-SNAWJCMRSA-N 1 2 214.224 2.011 10 30 BEEELO C=C(C)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000219323316 592223002 /nfs/dbraw/zinc/22/30/02/592223002.db2.gz FDVWKSSLSUYQLV-JTQLQIEISA-N 1 2 206.289 2.147 10 30 BEEELO C=C(Br)C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644511 634461771 /nfs/dbraw/zinc/46/17/71/634461771.db2.gz YUCQQGDDBQQIML-SNVBAGLBSA-N 1 2 246.148 2.196 10 30 BEEELO C=C(Br)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000082644511 634461775 /nfs/dbraw/zinc/46/17/75/634461775.db2.gz YUCQQGDDBQQIML-SNVBAGLBSA-N 1 2 246.148 2.196 10 30 BEEELO C=C(C)C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962014 538909293 /nfs/dbraw/zinc/90/92/93/538909293.db2.gz QZBXCDZITDBXPL-WCQYABFASA-N 1 2 233.311 2.064 10 30 BEEELO C=C(Br)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000306788316 398199793 /nfs/dbraw/zinc/19/97/93/398199793.db2.gz RRSCZPLXPRYBDX-VHSXEESVSA-N 1 2 246.148 2.006 10 30 BEEELO C=C(Br)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000306788316 398199794 /nfs/dbraw/zinc/19/97/94/398199794.db2.gz RRSCZPLXPRYBDX-VHSXEESVSA-N 1 2 246.148 2.006 10 30 BEEELO Cc1cc(N[C@@H]2CCO[C@H]2C)c(C#N)c(C)[nH+]1 ZINC000149793744 178182040 /nfs/dbraw/zinc/18/20/40/178182040.db2.gz LMPANHTUJQFCRN-CMPLNLGQSA-N 1 2 231.299 2.159 10 30 BEEELO Cc1cc(N[C@H]2CCO[C@@H]2C)c(C#N)c(C)[nH+]1 ZINC000149793507 178190088 /nfs/dbraw/zinc/19/00/88/178190088.db2.gz LMPANHTUJQFCRN-PWSUYJOCSA-N 1 2 231.299 2.159 10 30 BEEELO CCc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)o1 ZINC000336813777 136271001 /nfs/dbraw/zinc/27/10/01/136271001.db2.gz DCOFCDCDKCSSNP-GHMZBOCLSA-N 1 2 233.315 2.327 10 30 BEEELO Cc1cc(N2C[C@@H](C)O[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000156534132 343613326 /nfs/dbraw/zinc/61/33/26/343613326.db2.gz SNLKUGSIKKPGCK-GHMZBOCLSA-N 1 2 245.326 2.184 10 30 BEEELO C=CCCCN(C)C(=O)CCCn1cc[nH+]c1 ZINC000135081029 343747590 /nfs/dbraw/zinc/74/75/90/343747590.db2.gz RZWDZKOAPQGLLL-UHFFFAOYSA-N 1 2 235.331 2.088 10 30 BEEELO C#CCn1nc(-c2ccsc2)cc1C(=[NH2+])OC ZINC000409443263 343866604 /nfs/dbraw/zinc/86/66/04/343866604.db2.gz KBBITDWUDDJNJE-UHFFFAOYSA-N 1 2 245.307 2.217 10 30 BEEELO C=C(Br)CNc1ccc(OC)c[nH+]1 ZINC000234894009 344448708 /nfs/dbraw/zinc/44/87/08/344448708.db2.gz MRUSIDPQDYTXMF-UHFFFAOYSA-N 1 2 243.104 2.411 10 30 BEEELO C[C@@H](c1cccc2ncccc21)[C@H]([NH3+])C#N ZINC000142215202 345862504 /nfs/dbraw/zinc/86/25/04/345862504.db2.gz UPYLDIMOPBXFJE-JOYOIKCWSA-N 1 2 211.268 2.189 10 30 BEEELO N#Cc1ccccc1[C@H]1[NH2+]CCCS1 ZINC000236195155 346205970 /nfs/dbraw/zinc/20/59/70/346205970.db2.gz RQBWMTALNJCZCM-NSHDSACASA-N 1 2 204.298 2.283 10 30 BEEELO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C=O)s1 ZINC000062337826 346240157 /nfs/dbraw/zinc/24/01/57/346240157.db2.gz IUTOVRPCFDZKRL-SNVBAGLBSA-N 1 2 224.329 2.005 10 30 BEEELO Cc1ncc(C[N@H+]2CCCC[C@@H]2C=O)s1 ZINC000062337826 346240163 /nfs/dbraw/zinc/24/01/63/346240163.db2.gz IUTOVRPCFDZKRL-SNVBAGLBSA-N 1 2 224.329 2.005 10 30 BEEELO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000054829138 179101435 /nfs/dbraw/zinc/10/14/35/179101435.db2.gz NFARZPDPJUAWSB-YPMHNXCESA-N 1 2 215.300 2.172 10 30 BEEELO Cc1cccc(N[C@@]2(C#N)C[NH+]3CCC2CC3)c1 ZINC000037936859 179156302 /nfs/dbraw/zinc/15/63/02/179156302.db2.gz LFOPBANCYJQAFY-HNNXBMFYSA-N 1 2 241.338 2.395 10 30 BEEELO Cc1cccc(N[C@]2(C#N)CC[N@@H+](C)C2)c1 ZINC000061990884 179159123 /nfs/dbraw/zinc/15/91/23/179159123.db2.gz CXFDVTQAZINANP-ZDUSSCGKSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1cccc(N[C@]2(C#N)CC[N@H+](C)C2)c1 ZINC000061990884 179159125 /nfs/dbraw/zinc/15/91/25/179159125.db2.gz CXFDVTQAZINANP-ZDUSSCGKSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1cccc(N[C@]2(C#N)C[NH+]3CCC2CC3)c1 ZINC000037936858 179159141 /nfs/dbraw/zinc/15/91/41/179159141.db2.gz LFOPBANCYJQAFY-OAHLLOKOSA-N 1 2 241.338 2.395 10 30 BEEELO Cc1cccc(SCC[C@H]([NH3+])C#N)c1 ZINC000062457238 179177471 /nfs/dbraw/zinc/17/74/71/179177471.db2.gz JZIRALYMVHQZHE-JTQLQIEISA-N 1 2 206.314 2.328 10 30 BEEELO C=C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)OC ZINC000590972763 347598494 /nfs/dbraw/zinc/59/84/94/347598494.db2.gz BNLYETXZPHZJRL-NSHDSACASA-N 1 2 223.316 2.026 10 30 BEEELO Cc1ccccc1N[C@]1(C#N)CC[N@@H+](C)C1 ZINC000061990904 179307470 /nfs/dbraw/zinc/30/74/70/179307470.db2.gz DDWBXMJFTOWOEB-ZDUSSCGKSA-N 1 2 215.300 2.005 10 30 BEEELO Cc1ccccc1N[C@]1(C#N)CC[N@H+](C)C1 ZINC000061990904 179307472 /nfs/dbraw/zinc/30/74/72/179307472.db2.gz DDWBXMJFTOWOEB-ZDUSSCGKSA-N 1 2 215.300 2.005 10 30 BEEELO C[C@@H](C#N)C[N@@H+]1CCc2sccc2C1 ZINC000036984996 347997649 /nfs/dbraw/zinc/99/76/49/347997649.db2.gz LTRRPMRXYQJGHB-VIFPVBQESA-N 1 2 206.314 2.266 10 30 BEEELO C[C@@H](C#N)C[N@H+]1CCc2sccc2C1 ZINC000036984996 347997650 /nfs/dbraw/zinc/99/76/50/347997650.db2.gz LTRRPMRXYQJGHB-VIFPVBQESA-N 1 2 206.314 2.266 10 30 BEEELO CN(C)[C@@]1(C#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000037354688 348353397 /nfs/dbraw/zinc/35/33/97/348353397.db2.gz QLRSMQITZVQMKY-OAHLLOKOSA-N 1 2 243.354 2.106 10 30 BEEELO CN(C)[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000037354688 348353402 /nfs/dbraw/zinc/35/34/02/348353402.db2.gz QLRSMQITZVQMKY-OAHLLOKOSA-N 1 2 243.354 2.106 10 30 BEEELO CC(C)(C)c1ccc(OC[C@H]([NH3+])C#N)cc1 ZINC000019665845 187417680 /nfs/dbraw/zinc/41/76/80/187417680.db2.gz OMMDZHYXXVQGJS-LLVKDONJSA-N 1 2 218.300 2.214 10 30 BEEELO CC(C)N(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000042530719 187430922 /nfs/dbraw/zinc/43/09/22/187430922.db2.gz ILJQHLMBAMZRKS-UHFFFAOYSA-N 1 2 242.326 2.458 10 30 BEEELO Cc1[nH+]c[nH]c1CNc1ccc(OCC#N)cc1 ZINC000054794100 180121059 /nfs/dbraw/zinc/12/10/59/180121059.db2.gz YLNJIESDYRSENN-UHFFFAOYSA-N 1 2 242.282 2.233 10 30 BEEELO Cc1[nH+]c[nH]c1CNc1cccc(C#N)c1 ZINC000054793799 180121877 /nfs/dbraw/zinc/12/18/77/180121877.db2.gz VVMIUVNANIHJES-UHFFFAOYSA-N 1 2 212.256 2.202 10 30 BEEELO Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000328197504 350392058 /nfs/dbraw/zinc/39/20/58/350392058.db2.gz RZZUQXRCDNSYDH-DGCLKSJQSA-N 1 2 215.300 2.172 10 30 BEEELO Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000334508884 350674884 /nfs/dbraw/zinc/67/48/84/350674884.db2.gz LDQREVXODRJMSV-VHSXEESVSA-N 1 2 221.329 2.233 10 30 BEEELO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674767 350823635 /nfs/dbraw/zinc/82/36/35/350823635.db2.gz RCFULLBMPNJIFF-UKRRQHHQSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674767 350823637 /nfs/dbraw/zinc/82/36/37/350823637.db2.gz RCFULLBMPNJIFF-UKRRQHHQSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674766 350823949 /nfs/dbraw/zinc/82/39/49/350823949.db2.gz RCFULLBMPNJIFF-HIFRSBDPSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674766 350823954 /nfs/dbraw/zinc/82/39/54/350823954.db2.gz RCFULLBMPNJIFF-HIFRSBDPSA-N 1 2 243.354 2.105 10 30 BEEELO CC(C)(C)N1CC[NH2+][C@@H](c2ccc(C#N)cc2)C1 ZINC000616632653 351112354 /nfs/dbraw/zinc/11/23/54/351112354.db2.gz VTAZMGCEIBLGKJ-CQSZACIVSA-N 1 2 243.354 2.303 10 30 BEEELO C[C@H](CC#N)[N@H+](C)[C@@H]1CCCCCC1=O ZINC000063087584 351097832 /nfs/dbraw/zinc/09/78/32/351097832.db2.gz KAPCHTIBKIXPRR-GHMZBOCLSA-N 1 2 208.305 2.122 10 30 BEEELO C[C@H](CC#N)[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000063087584 351097836 /nfs/dbraw/zinc/09/78/36/351097836.db2.gz KAPCHTIBKIXPRR-GHMZBOCLSA-N 1 2 208.305 2.122 10 30 BEEELO C[C@@H](C#N)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000307020540 351424664 /nfs/dbraw/zinc/42/46/64/351424664.db2.gz TVYKYLSHLYBJFK-STQMWFEESA-N 1 2 232.327 2.341 10 30 BEEELO Cc1ccccc1SCC[C@H]([NH3+])C#N ZINC000062456695 188183991 /nfs/dbraw/zinc/18/39/91/188183991.db2.gz VBVBEXASDSRIAC-JTQLQIEISA-N 1 2 206.314 2.328 10 30 BEEELO C=CC[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000127146213 353263144 /nfs/dbraw/zinc/26/31/44/353263144.db2.gz VEFCMQUGWKQDPM-UHFFFAOYSA-N 1 2 221.304 2.345 10 30 BEEELO C=CC[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000127146213 353263147 /nfs/dbraw/zinc/26/31/47/353263147.db2.gz VEFCMQUGWKQDPM-UHFFFAOYSA-N 1 2 221.304 2.345 10 30 BEEELO CCCn1nccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000160141431 353299779 /nfs/dbraw/zinc/29/97/79/353299779.db2.gz NPPHZSDLNABRTH-AAEUAGOBSA-N 1 2 232.331 2.075 10 30 BEEELO N#CC1([NH2+]C[C@H]2CCCO2)CCCCCC1 ZINC000037939991 181030862 /nfs/dbraw/zinc/03/08/62/181030862.db2.gz UEKXNRXNHSEHNV-GFCCVEGCSA-N 1 2 222.332 2.372 10 30 BEEELO N#CC[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000103954947 181045184 /nfs/dbraw/zinc/04/51/84/181045184.db2.gz JNQKAQHYZTVUPY-UONOGXRCSA-N 1 2 230.311 2.410 10 30 BEEELO N#C[C@@H]([NH3+])CCOc1ccc2c(c1)CCCC2 ZINC000019666697 181056008 /nfs/dbraw/zinc/05/60/08/181056008.db2.gz LEJFESLYIZALQU-ZDUSSCGKSA-N 1 2 230.311 2.185 10 30 BEEELO N#C[C@H](C[NH+]1CCC2(CCCC2)CC1)NC1CC1 ZINC000062956086 181063329 /nfs/dbraw/zinc/06/33/29/181063329.db2.gz WXGRYCBYDNGGBN-CQSZACIVSA-N 1 2 247.386 2.287 10 30 BEEELO N#C[C@H]([NH3+])CCSc1ccc(F)cc1F ZINC000062451992 181064412 /nfs/dbraw/zinc/06/44/12/181064412.db2.gz PIMBXKLJFAAMJW-MRVPVSSYSA-N 1 2 228.267 2.298 10 30 BEEELO N#C[C@H]([NH3+])COc1cc(Cl)cc(Cl)c1 ZINC000019666078 181064564 /nfs/dbraw/zinc/06/45/64/181064564.db2.gz IMFKVCXLLFBSFW-QMMMGPOBSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])CSc1ccccc1Cl ZINC000045363830 181064627 /nfs/dbraw/zinc/06/46/27/181064627.db2.gz PZQSQLIUFQESKS-ZETCQYMHSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@H]([NH3+])COc1cc(Cl)ccc1Cl ZINC000019666060 181065263 /nfs/dbraw/zinc/06/52/63/181065263.db2.gz NHNFDJSOPUQATO-ZETCQYMHSA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000037939915 181065702 /nfs/dbraw/zinc/06/57/02/181065702.db2.gz QOYXMSUKHOQTKA-STQMWFEESA-N 1 2 222.332 2.227 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335285439 181068457 /nfs/dbraw/zinc/06/84/57/181068457.db2.gz WJGKABGWXBDTBX-SKDRFNHKSA-N 1 2 219.263 2.003 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+][C@H]1COc2cc(O)ccc21 ZINC000061891442 181069106 /nfs/dbraw/zinc/06/91/06/181069106.db2.gz COYCQQZCAUBNQG-ICCXJUOJSA-N 1 2 244.294 2.108 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000061891441 181069925 /nfs/dbraw/zinc/06/99/25/181069925.db2.gz COYCQQZCAUBNQG-OASPWFOLSA-N 1 2 244.294 2.108 10 30 BEEELO N#CCCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121640172 358485254 /nfs/dbraw/zinc/48/52/54/358485254.db2.gz MEMHBYVDWUWKRA-NSHDSACASA-N 1 2 233.319 2.026 10 30 BEEELO N#Cc1cc(N)ccc1Oc1cc[nH+]cc1 ZINC000042410867 181089417 /nfs/dbraw/zinc/08/94/17/181089417.db2.gz ZDLOGOPHFGCKEL-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO N#CCCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121640172 358485260 /nfs/dbraw/zinc/48/52/60/358485260.db2.gz MEMHBYVDWUWKRA-NSHDSACASA-N 1 2 233.319 2.026 10 30 BEEELO N#CCCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121640172 358485262 /nfs/dbraw/zinc/48/52/62/358485262.db2.gz MEMHBYVDWUWKRA-NSHDSACASA-N 1 2 233.319 2.026 10 30 BEEELO N#CCCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121640172 358485267 /nfs/dbraw/zinc/48/52/67/358485267.db2.gz MEMHBYVDWUWKRA-NSHDSACASA-N 1 2 233.319 2.026 10 30 BEEELO N#Cc1ccc(Nc2ccc(N)c[nH+]2)cc1 ZINC000008418591 181126851 /nfs/dbraw/zinc/12/68/51/181126851.db2.gz VGCJEOLYUPOWLM-UHFFFAOYSA-N 1 2 210.240 2.279 10 30 BEEELO N#Cc1ccccc1NCCCn1cc[nH+]c1 ZINC000020358813 181147834 /nfs/dbraw/zinc/14/78/34/181147834.db2.gz WZONXVLBQJPTJC-UHFFFAOYSA-N 1 2 226.283 2.257 10 30 BEEELO C=CC[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000173698769 166396946 /nfs/dbraw/zinc/39/69/46/166396946.db2.gz SEDJQFMWPHRRTP-UHFFFAOYSA-N 1 2 221.304 2.177 10 30 BEEELO N/C(CCCSc1cccs1)=[NH+]\O ZINC000020078213 181182012 /nfs/dbraw/zinc/18/20/12/181182012.db2.gz GXHBESMYUCNSFU-UHFFFAOYSA-N 1 2 216.331 2.367 10 30 BEEELO Cc1nnsc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000384211391 356480745 /nfs/dbraw/zinc/48/07/45/356480745.db2.gz CNBLUKGCKNMDIQ-ZJUUUORDSA-N 1 2 236.344 2.019 10 30 BEEELO Cc1nnsc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000384211371 356481343 /nfs/dbraw/zinc/48/13/43/356481343.db2.gz CNBLUKGCKNMDIQ-UWVGGRQHSA-N 1 2 236.344 2.019 10 30 BEEELO CCn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000385257178 357034887 /nfs/dbraw/zinc/03/48/87/357034887.db2.gz XBAWUUDPTMFJGU-VXGBXAGGSA-N 1 2 232.331 2.075 10 30 BEEELO CCn1cc[nH+]c1CN[C@@H]1CCCC[C@@H]1C#N ZINC000385257178 357034892 /nfs/dbraw/zinc/03/48/92/357034892.db2.gz XBAWUUDPTMFJGU-VXGBXAGGSA-N 1 2 232.331 2.075 10 30 BEEELO COc1ccc2[nH]cc([S+](C)C)c2c1 ZINC000584609438 358270580 /nfs/dbraw/zinc/27/05/80/358270580.db2.gz MVMZSOOKIWRPQV-UHFFFAOYSA-N 1 2 208.306 2.413 10 30 BEEELO CCc1cnc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000132444033 358723288 /nfs/dbraw/zinc/72/32/88/358723288.db2.gz AKBIMBBVDFWJGD-ONGXEEELSA-N 1 2 235.356 2.487 10 30 BEEELO CCc1nc(C[NH2+][C@@H]2CCC[C@H]2C#N)cs1 ZINC000132443133 358723391 /nfs/dbraw/zinc/72/33/91/358723391.db2.gz IFBZCXINVRQSON-GXSJLCMTSA-N 1 2 235.356 2.487 10 30 BEEELO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccccn1 ZINC000054825139 358876381 /nfs/dbraw/zinc/87/63/81/358876381.db2.gz HPRZIHAHZARWJJ-LOWVWBTDSA-N 1 2 215.300 2.424 10 30 BEEELO Cc1cccnc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000070908721 359065184 /nfs/dbraw/zinc/06/51/84/359065184.db2.gz HVYOSIHDHVDDIM-RYUDHWBXSA-N 1 2 215.300 2.172 10 30 BEEELO CC(C)n1cncc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000090209194 360066163 /nfs/dbraw/zinc/06/61/63/360066163.db2.gz HHSBFRFEMXFNHC-WCQYABFASA-N 1 2 232.331 2.246 10 30 BEEELO C=C[C@@H]([NH2+]C)c1nscc1Br ZINC000404742802 372111493 /nfs/dbraw/zinc/11/14/93/372111493.db2.gz QDZUECWAOSYOAT-ZCFIWIBFSA-N 1 2 233.134 2.352 10 30 BEEELO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 ZINC000181862923 134339825 /nfs/dbraw/zinc/33/98/25/134339825.db2.gz ZLDDSOIEOGSKRP-RYUDHWBXSA-N 1 2 210.321 2.180 10 30 BEEELO CCCO[C@H]1CCC[N@H+]([C@@H](C)C#N)CC1 ZINC000181862923 134339826 /nfs/dbraw/zinc/33/98/26/134339826.db2.gz ZLDDSOIEOGSKRP-RYUDHWBXSA-N 1 2 210.321 2.180 10 30 BEEELO CO/N=C/CSc1cccn2cc[nH+]c12 ZINC000089201519 383944144 /nfs/dbraw/zinc/94/41/44/383944144.db2.gz VYZRXSLIHPWGNL-LFYBBSHMSA-N 1 2 221.285 2.059 10 30 BEEELO CO[C@H](C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000224219557 384308545 /nfs/dbraw/zinc/30/85/45/384308545.db2.gz SHXQHMRJYCKOJH-SECBINFHSA-N 1 2 219.288 2.017 10 30 BEEELO Cc1cc(NC[C@@H]2CCC[C@H]2O)c(C#N)c(C)[nH+]1 ZINC000157454026 384479217 /nfs/dbraw/zinc/47/92/17/384479217.db2.gz BECWLNUJCJLCNA-SMDDNHRTSA-N 1 2 245.326 2.143 10 30 BEEELO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000157121795 385083451 /nfs/dbraw/zinc/08/34/51/385083451.db2.gz PLYUYPBRDJKIHT-CQSZACIVSA-N 1 2 233.311 2.375 10 30 BEEELO CC#CCC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000157121795 385083462 /nfs/dbraw/zinc/08/34/62/385083462.db2.gz PLYUYPBRDJKIHT-CQSZACIVSA-N 1 2 233.311 2.375 10 30 BEEELO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152326296 385135303 /nfs/dbraw/zinc/13/53/03/385135303.db2.gz XBXYYXMIVRAONA-GFCCVEGCSA-N 1 2 238.718 2.287 10 30 BEEELO C=C(Cl)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152326296 385135306 /nfs/dbraw/zinc/13/53/06/385135306.db2.gz XBXYYXMIVRAONA-GFCCVEGCSA-N 1 2 238.718 2.287 10 30 BEEELO COc1ccccc1[C@@H](C)[NH2+]CCC#N ZINC000020199544 385422426 /nfs/dbraw/zinc/42/24/26/385422426.db2.gz FZCLPDILZVYDBT-SNVBAGLBSA-N 1 2 204.273 2.259 10 30 BEEELO CO/N=C\CSc1cccn2cc[nH+]c12 ZINC000215923291 385852941 /nfs/dbraw/zinc/85/29/41/385852941.db2.gz VYZRXSLIHPWGNL-XGICHPGQSA-N 1 2 221.285 2.059 10 30 BEEELO CSCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000123299402 388649587 /nfs/dbraw/zinc/64/95/87/388649587.db2.gz OJVVAWXPFSGBMS-UHFFFAOYSA-N 1 2 235.356 2.369 10 30 BEEELO C[C@@H](C#N)C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000060533118 132368806 /nfs/dbraw/zinc/36/88/06/132368806.db2.gz DENIUZVLFVDAED-LBPRGKRZSA-N 1 2 245.326 2.095 10 30 BEEELO CC1(C)CCC[N@H+](C[C@@H]2CCCO2)[C@H]1C#N ZINC000336341754 134144002 /nfs/dbraw/zinc/14/40/02/134144002.db2.gz VTHKGCOTEHWRHE-RYUDHWBXSA-N 1 2 222.332 2.180 10 30 BEEELO CC1(C)CCC[N@@H+](C[C@@H]2CCCO2)[C@H]1C#N ZINC000336341754 134144003 /nfs/dbraw/zinc/14/40/03/134144003.db2.gz VTHKGCOTEHWRHE-RYUDHWBXSA-N 1 2 222.332 2.180 10 30 BEEELO C=CCO[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302187422 134157577 /nfs/dbraw/zinc/15/75/77/134157577.db2.gz UTASBQOBBOHTNB-LBPRGKRZSA-N 1 2 245.326 2.135 10 30 BEEELO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C#N)CC1 ZINC000181862902 134339864 /nfs/dbraw/zinc/33/98/64/134339864.db2.gz ZLDDSOIEOGSKRP-NWDGAFQWSA-N 1 2 210.321 2.180 10 30 BEEELO CCCO[C@@H]1CCC[N@H+]([C@@H](C)C#N)CC1 ZINC000181862902 134339865 /nfs/dbraw/zinc/33/98/65/134339865.db2.gz ZLDDSOIEOGSKRP-NWDGAFQWSA-N 1 2 210.321 2.180 10 30 BEEELO C[C@@H](C#N)C[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251145323 135065090 /nfs/dbraw/zinc/06/50/90/135065090.db2.gz XCRLRNJEOOAAGY-WCQYABFASA-N 1 2 230.311 2.082 10 30 BEEELO C[C@@H](C#N)C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251145323 135065093 /nfs/dbraw/zinc/06/50/93/135065093.db2.gz XCRLRNJEOOAAGY-WCQYABFASA-N 1 2 230.311 2.082 10 30 BEEELO C[C@@H](CC#N)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251576631 135071613 /nfs/dbraw/zinc/07/16/13/135071613.db2.gz NIIUARUVBAQQBR-WCQYABFASA-N 1 2 230.311 2.224 10 30 BEEELO C[C@@H](CC#N)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC000251576631 135071616 /nfs/dbraw/zinc/07/16/16/135071616.db2.gz NIIUARUVBAQQBR-WCQYABFASA-N 1 2 230.311 2.224 10 30 BEEELO Cc1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2C#N)o1 ZINC000381896069 397815797 /nfs/dbraw/zinc/81/57/97/397815797.db2.gz STWVDAJMHSTMGF-GHMZBOCLSA-N 1 2 219.288 2.073 10 30 BEEELO C=CC[N@@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750623 166357215 /nfs/dbraw/zinc/35/72/15/166357215.db2.gz OOIQGFLBWNLAJF-CYBMUJFWSA-N 1 2 248.282 2.154 10 30 BEEELO C=CC[N@H+]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750623 166357218 /nfs/dbraw/zinc/35/72/18/166357218.db2.gz OOIQGFLBWNLAJF-CYBMUJFWSA-N 1 2 248.282 2.154 10 30 BEEELO CC(C)[NH2+][C@@]1(C#N)CCc2ccccc2C1 ZINC000037460388 167137147 /nfs/dbraw/zinc/13/71/47/167137147.db2.gz MARKEKJTFZXOJS-AWEZNQCLSA-N 1 2 214.312 2.436 10 30 BEEELO CCN[C@@](C)(C#N)C[NH+]1CCC(C)(C)CC1 ZINC000061821656 170155435 /nfs/dbraw/zinc/15/54/35/170155435.db2.gz RFHCQSCLEZVECI-ZDUSSCGKSA-N 1 2 223.364 2.000 10 30 BEEELO CN(C)C=[NH+]Nc1nc2ccccc2s1 ZINC000096336244 172352432 /nfs/dbraw/zinc/35/24/32/172352432.db2.gz WUNXRHOLAURUDP-YRNVUSSQSA-N 1 2 220.301 2.213 10 30 BEEELO COc1ccc(CC[NH2+][C@@H](C#N)C(C)C)cc1 ZINC000057520987 175092060 /nfs/dbraw/zinc/09/20/60/175092060.db2.gz STAFDWIFAMYCPX-AWEZNQCLSA-N 1 2 232.327 2.375 10 30 BEEELO C[C@@H]1CCCC[C@H]1OCCC/C(N)=[NH+]/O ZINC000019511824 176089336 /nfs/dbraw/zinc/08/93/36/176089336.db2.gz KVTNNEXUWPMIIX-NXEZZACHSA-N 1 2 214.309 2.108 10 30 BEEELO C[C@H](C#N)n1cc[nH+]c1-c1cccc(N)c1 ZINC000043515661 176555831 /nfs/dbraw/zinc/55/58/31/176555831.db2.gz LYQZDNCUAJUSSZ-SECBINFHSA-N 1 2 212.256 2.217 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1C#N ZINC000077368366 177300554 /nfs/dbraw/zinc/30/05/54/177300554.db2.gz GEXPRLMODCOTFR-RYUDHWBXSA-N 1 2 230.311 2.167 10 30 BEEELO Cc1ccoc1CSCC[C@H]([NH3+])C#N ZINC000757166926 582547576 /nfs/dbraw/zinc/54/75/76/582547576.db2.gz SYPQQVGONILZJL-VIFPVBQESA-N 1 2 210.302 2.062 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000226819633 640793810 /nfs/dbraw/zinc/79/38/10/640793810.db2.gz FRDOLONHHXKVGX-RWMBFGLXSA-N 1 2 227.311 2.351 10 30 BEEELO Cc1coc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000718133466 712747126 /nfs/dbraw/zinc/74/71/26/712747126.db2.gz UPAZWDHNKVKGSH-CMPLNLGQSA-N 1 2 204.273 2.370 10 30 BEEELO C=CCOc1ccccc1C[NH2+]CCC#N ZINC000034992741 358451877 /nfs/dbraw/zinc/45/18/77/358451877.db2.gz QKFQRCBUTIQOCF-UHFFFAOYSA-N 1 2 216.284 2.255 10 30 BEEELO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C#N)no1 ZINC000054827878 178040140 /nfs/dbraw/zinc/04/01/40/178040140.db2.gz FQUCOXZNEKEIEB-PWSUYJOCSA-N 1 2 219.288 2.155 10 30 BEEELO Cc1cc([NH3+])ccc1N(C)C[C@@H](C)C#N ZINC000042455134 178105250 /nfs/dbraw/zinc/10/52/50/178105250.db2.gz WNIKZSBBHHEGRL-VIFPVBQESA-N 1 2 203.289 2.173 10 30 BEEELO Cc1cc(NC[C@@H]2CC[C@H](O)C2)c(C#N)c(C)[nH+]1 ZINC000235903887 178167579 /nfs/dbraw/zinc/16/75/79/178167579.db2.gz HZZISWBFYVVTNL-NEPJUHHUSA-N 1 2 245.326 2.143 10 30 BEEELO Cc1ccc(C)c(SC[C@@H]([NH3+])C#N)c1 ZINC000045365441 178493051 /nfs/dbraw/zinc/49/30/51/178493051.db2.gz XGCJWEFHVLZPIA-JTQLQIEISA-N 1 2 206.314 2.246 10 30 BEEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000054826168 136373002 /nfs/dbraw/zinc/37/30/02/136373002.db2.gz WQOCETQJOSQKKM-JQWIXIFHSA-N 1 2 244.294 2.197 10 30 BEEELO C[C@H](C#N)[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361911 344709487 /nfs/dbraw/zinc/70/94/87/344709487.db2.gz AGZXTORGHDRPTC-OCCSQVGLSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@H](C#N)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361911 344709488 /nfs/dbraw/zinc/70/94/88/344709488.db2.gz AGZXTORGHDRPTC-OCCSQVGLSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361909 344709493 /nfs/dbraw/zinc/70/94/93/344709493.db2.gz AGZXTORGHDRPTC-GXTWGEPZSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@@H](C#N)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361909 344709495 /nfs/dbraw/zinc/70/94/95/344709495.db2.gz AGZXTORGHDRPTC-GXTWGEPZSA-N 1 2 241.338 2.035 10 30 BEEELO C[C@@H]1C[NH2+][C@@H](c2ccccc2C#N)S1 ZINC000235359824 344892275 /nfs/dbraw/zinc/89/22/75/344892275.db2.gz GVEPJXJDBXEPHE-LDYMZIIASA-N 1 2 204.298 2.282 10 30 BEEELO C[C@H]1C[NH2+][C@@H](c2ccccc2C#N)S1 ZINC000235661692 344977603 /nfs/dbraw/zinc/97/76/03/344977603.db2.gz GVEPJXJDBXEPHE-GZMMTYOYSA-N 1 2 204.298 2.282 10 30 BEEELO Cc1ccc([C@H]2C[N@H+](CCCC#N)CCO2)o1 ZINC000158942185 345390223 /nfs/dbraw/zinc/39/02/23/345390223.db2.gz JXNBGPQHVXMUBT-CYBMUJFWSA-N 1 2 234.299 2.265 10 30 BEEELO Cc1ccc([C@H]2C[N@@H+](CCCC#N)CCO2)o1 ZINC000158942185 345390225 /nfs/dbraw/zinc/39/02/25/345390225.db2.gz JXNBGPQHVXMUBT-CYBMUJFWSA-N 1 2 234.299 2.265 10 30 BEEELO C=CC[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158830945 345381762 /nfs/dbraw/zinc/38/17/62/345381762.db2.gz RALACMUYEJYXGN-LBPRGKRZSA-N 1 2 207.273 2.147 10 30 BEEELO C=CC[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158830945 345381764 /nfs/dbraw/zinc/38/17/64/345381764.db2.gz RALACMUYEJYXGN-LBPRGKRZSA-N 1 2 207.273 2.147 10 30 BEEELO Cc1cccc(N[NH+]=C2NCCS2)c1C ZINC000039110376 179120958 /nfs/dbraw/zinc/12/09/58/179120958.db2.gz UDZABZKTJRTGQO-UHFFFAOYSA-N 1 2 221.329 2.323 10 30 BEEELO C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]1C#N ZINC000036776126 347463600 /nfs/dbraw/zinc/46/36/00/347463600.db2.gz GWMOYZQOUTWPGP-CHWSQXEVSA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]1C#N ZINC000036776126 347463604 /nfs/dbraw/zinc/46/36/04/347463604.db2.gz GWMOYZQOUTWPGP-CHWSQXEVSA-N 1 2 215.300 2.206 10 30 BEEELO Cc1cnc([C@H](C)[NH2+]Cc2ccnc(C#N)c2)o1 ZINC000230645691 352196449 /nfs/dbraw/zinc/19/64/49/352196449.db2.gz OJMZZOIYRKRIMK-JTQLQIEISA-N 1 2 242.282 2.101 10 30 BEEELO Cc1[nH+]ccn1-c1nc(Cl)c(C#N)s1 ZINC000307716254 353108129 /nfs/dbraw/zinc/10/81/29/353108129.db2.gz KCIPVIFWXWXBBO-UHFFFAOYSA-N 1 2 224.676 2.162 10 30 BEEELO C=CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126003000 353219536 /nfs/dbraw/zinc/21/95/36/353219536.db2.gz SSRKLPVXACJXBH-LLVKDONJSA-N 1 2 209.314 2.307 10 30 BEEELO C=CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126003000 353219538 /nfs/dbraw/zinc/21/95/38/353219538.db2.gz SSRKLPVXACJXBH-LLVKDONJSA-N 1 2 209.314 2.307 10 30 BEEELO CCC[C@H](C#N)C(=O)Nc1cc[nH+]cc1C ZINC000104345581 188151246 /nfs/dbraw/zinc/15/12/46/188151246.db2.gz MFCPHQUUKAMNPK-SNVBAGLBSA-N 1 2 217.272 2.268 10 30 BEEELO C=C(Cl)CNc1cc(N)cc(Cl)[nH+]1 ZINC000229541583 353524623 /nfs/dbraw/zinc/52/46/23/353524623.db2.gz NRVSWVIGEHUTRQ-UHFFFAOYSA-N 1 2 218.087 2.482 10 30 BEEELO N#C[C@@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000037939916 181057576 /nfs/dbraw/zinc/05/75/76/181057576.db2.gz QOYXMSUKHOQTKA-CHWSQXEVSA-N 1 2 222.332 2.227 10 30 BEEELO C=C[C@@H]([NH2+]C1CCC(CC)CC1)C(=O)OC ZINC000301013647 363294267 /nfs/dbraw/zinc/29/42/67/363294267.db2.gz HGCYYBZCGWLZQF-HTAVTVPLSA-N 1 2 225.332 2.272 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1nc2ccccc2o1 ZINC000062455440 181055251 /nfs/dbraw/zinc/05/52/51/181055251.db2.gz FBLXWDSAZPCPKR-QMMMGPOBSA-N 1 2 233.296 2.161 10 30 BEEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000054824198 181059136 /nfs/dbraw/zinc/05/91/36/181059136.db2.gz KGJULSQCNKTWSC-AAEUAGOBSA-N 1 2 215.300 2.254 10 30 BEEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000054824196 181068052 /nfs/dbraw/zinc/06/80/52/181068052.db2.gz KGJULSQCNKTWSC-YPMHNXCESA-N 1 2 215.300 2.254 10 30 BEEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000054824195 181068685 /nfs/dbraw/zinc/06/86/85/181068685.db2.gz KGJULSQCNKTWSC-DGCLKSJQSA-N 1 2 215.300 2.254 10 30 BEEELO N#CC1=C(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000011552433 181070371 /nfs/dbraw/zinc/07/03/71/181070371.db2.gz QSSWMSRTOGQASW-LBPRGKRZSA-N 1 2 213.284 2.052 10 30 BEEELO N#CC1=C(N)CC[N@H+](Cc2ccccc2)C1 ZINC000011552433 181070374 /nfs/dbraw/zinc/07/03/74/181070374.db2.gz QSSWMSRTOGQASW-LBPRGKRZSA-N 1 2 213.284 2.052 10 30 BEEELO N#Cc1ccc(F)c(C[NH+]2CCC(=NO)CC2)c1 ZINC000019430610 181113143 /nfs/dbraw/zinc/11/31/43/181113143.db2.gz AYOHMTBIGAFHTL-UHFFFAOYSA-N 1 2 247.273 2.123 10 30 BEEELO N/N=C/c1[nH+]c(-c2ccccc2)n2ccccc12 ZINC000000576879 181185268 /nfs/dbraw/zinc/18/52/68/181185268.db2.gz VWBBJIWOZIAABV-MHWRWJLKSA-N 1 2 236.278 2.294 10 30 BEEELO O=C(C=CNc1cc[nH+]cc1)c1cccs1 ZINC000584609809 358271782 /nfs/dbraw/zinc/27/17/82/358271782.db2.gz YBQJQEDPYPIFPG-VMPITWQZSA-N 1 2 230.292 2.374 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127492845 358563436 /nfs/dbraw/zinc/56/34/36/358563436.db2.gz DUNKOKSCWCCYLI-AWEZNQCLSA-N 1 2 233.311 2.342 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000127492845 358563439 /nfs/dbraw/zinc/56/34/39/358563439.db2.gz DUNKOKSCWCCYLI-AWEZNQCLSA-N 1 2 233.311 2.342 10 30 BEEELO Cn1cc[nH+]c1CNc1ccc(CC#N)cc1 ZINC000049899949 358704228 /nfs/dbraw/zinc/70/42/28/358704228.db2.gz PSCXJWMITDHDFB-UHFFFAOYSA-N 1 2 226.283 2.098 10 30 BEEELO CCc1cnc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000132443865 358722986 /nfs/dbraw/zinc/72/29/86/358722986.db2.gz AKBIMBBVDFWJGD-GXSJLCMTSA-N 1 2 235.356 2.487 10 30 BEEELO CC(=O)C[C@@H]1CCCCC[N@H+]1[C@@H](C)C#N ZINC000224232459 358969861 /nfs/dbraw/zinc/96/98/61/358969861.db2.gz UZDBMTUUSQPVDN-JQWIXIFHSA-N 1 2 208.305 2.122 10 30 BEEELO CC(=O)C[C@@H]1CCCCC[N@@H+]1[C@@H](C)C#N ZINC000224232459 358969864 /nfs/dbraw/zinc/96/98/64/358969864.db2.gz UZDBMTUUSQPVDN-JQWIXIFHSA-N 1 2 208.305 2.122 10 30 BEEELO CCC#C[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000309157073 491145737 /nfs/dbraw/zinc/14/57/37/491145737.db2.gz XSXWCKCJAZJTFL-GXSJLCMTSA-N 1 2 206.289 2.436 10 30 BEEELO CC(C)(C)NC(=[NH+]N)c1csc(Cl)c1 ZINC000306460723 360075199 /nfs/dbraw/zinc/07/51/99/360075199.db2.gz FNBJRZXIFMITIQ-UHFFFAOYSA-N 1 2 231.752 2.410 10 30 BEEELO C[C@@H](C#N)C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874865 360091321 /nfs/dbraw/zinc/09/13/21/360091321.db2.gz XCRLRNJEOOAAGY-AAEUAGOBSA-N 1 2 230.311 2.082 10 30 BEEELO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874865 360091324 /nfs/dbraw/zinc/09/13/24/360091324.db2.gz XCRLRNJEOOAAGY-AAEUAGOBSA-N 1 2 230.311 2.082 10 30 BEEELO C=CC[N@@H+](Cc1ncccc1C(=O)OC)C1CC1 ZINC000382550209 367537394 /nfs/dbraw/zinc/53/73/94/367537394.db2.gz TUDHCYQSRVAMOK-UHFFFAOYSA-N 1 2 246.310 2.019 10 30 BEEELO C=CC[N@H+](Cc1ncccc1C(=O)OC)C1CC1 ZINC000382550209 367537398 /nfs/dbraw/zinc/53/73/98/367537398.db2.gz TUDHCYQSRVAMOK-UHFFFAOYSA-N 1 2 246.310 2.019 10 30 BEEELO Cc1cc(NC2CCC(O)CC2)c(C#N)c(C)[nH+]1 ZINC000156537558 371442577 /nfs/dbraw/zinc/44/25/77/371442577.db2.gz HIMAIYUCPMAKHR-UHFFFAOYSA-N 1 2 245.326 2.286 10 30 BEEELO CCC[NH2+][C@@H](C#N)CCOc1cccc(OC)c1 ZINC000062445839 169273604 /nfs/dbraw/zinc/27/36/04/169273604.db2.gz XPKXHEUOBQULIP-GFCCVEGCSA-N 1 2 248.326 2.356 10 30 BEEELO CCC[NH2+][C@](C)(C#N)CCOCCOCCC ZINC000104248698 169292641 /nfs/dbraw/zinc/29/26/41/169292641.db2.gz HEXFBHGBEGREBF-ZDUSSCGKSA-N 1 2 242.363 2.102 10 30 BEEELO Cc1cc(NC[C@H](C)CCO)c(C#N)c(C)[nH+]1 ZINC000157456527 384478462 /nfs/dbraw/zinc/47/84/62/384478462.db2.gz MBDAGHBCMXTKGP-SECBINFHSA-N 1 2 233.315 2.001 10 30 BEEELO COc1ccc(OC)c([C@@H](C)[NH2+]CCC#N)c1 ZINC000020199691 384595614 /nfs/dbraw/zinc/59/56/14/384595614.db2.gz UMCHMNODCNTDEP-SNVBAGLBSA-N 1 2 234.299 2.268 10 30 BEEELO CCOc1ccc(-c2c[nH]c[nH+]2)c(F)c1C#N ZINC000144144000 384751674 /nfs/dbraw/zinc/75/16/74/384751674.db2.gz DOMDQIWQUHFNIQ-UHFFFAOYSA-N 1 2 231.230 2.486 10 30 BEEELO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cs1 ZINC000054826249 385665405 /nfs/dbraw/zinc/66/54/05/385665405.db2.gz RMEVRALEXIFYOG-MWLCHTKSSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1cnc([C@H](C)Nc2cc(C)[nH+]cc2C#N)o1 ZINC000399519449 386955595 /nfs/dbraw/zinc/95/55/95/386955595.db2.gz QFQWMESFFAJFLT-JTQLQIEISA-N 1 2 242.282 2.153 10 30 BEEELO Cc1cc(N(C)C[C@@H]2CCOC2)c(C#N)c(C)[nH+]1 ZINC000301676603 388614642 /nfs/dbraw/zinc/61/46/42/388614642.db2.gz QEZUVOBGLLSKBQ-LBPRGKRZSA-N 1 2 245.326 2.043 10 30 BEEELO Cc1cc(N[C@@H](C)CCCO)c(C#N)c(C)[nH+]1 ZINC000125469805 388787943 /nfs/dbraw/zinc/78/79/43/388787943.db2.gz ZGKJJITVSKFONM-VIFPVBQESA-N 1 2 233.315 2.143 10 30 BEEELO C[C@@H]1CCc2ccccc2N1CCC/C(N)=[NH+]/O ZINC000019471856 132325262 /nfs/dbraw/zinc/32/52/62/132325262.db2.gz GAKLAOQJZDKNRX-LLVKDONJSA-N 1 2 247.342 2.354 10 30 BEEELO CCOCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000157911417 133494270 /nfs/dbraw/zinc/49/42/70/133494270.db2.gz JMKSMSSRLIIJBP-UHFFFAOYSA-N 1 2 233.315 2.043 10 30 BEEELO C=CCO[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302187421 134157723 /nfs/dbraw/zinc/15/77/23/134157723.db2.gz UTASBQOBBOHTNB-GFCCVEGCSA-N 1 2 245.326 2.135 10 30 BEEELO C=CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000121569631 135224911 /nfs/dbraw/zinc/22/49/11/135224911.db2.gz XWKAKYUZDFITLI-UHFFFAOYSA-N 1 2 212.274 2.274 10 30 BEEELO C=CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000121569631 135224913 /nfs/dbraw/zinc/22/49/13/135224913.db2.gz XWKAKYUZDFITLI-UHFFFAOYSA-N 1 2 212.274 2.274 10 30 BEEELO CC(C)C[NH2+]C1(C#N)Cc2ccccc2C1 ZINC000037939302 167001337 /nfs/dbraw/zinc/00/13/37/167001337.db2.gz VNPHXKKDUOMVGO-UHFFFAOYSA-N 1 2 214.312 2.293 10 30 BEEELO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCN1C ZINC000104134759 171088682 /nfs/dbraw/zinc/08/86/82/171088682.db2.gz MAMUYBMCSWFRKC-OAHLLOKOSA-N 1 2 243.354 2.084 10 30 BEEELO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCN1C ZINC000104134759 171088683 /nfs/dbraw/zinc/08/86/83/171088683.db2.gz MAMUYBMCSWFRKC-OAHLLOKOSA-N 1 2 243.354 2.084 10 30 BEEELO CCc1[nH+]c2ccccc2n1[C@H](C)C/C(N)=N/O ZINC000062807730 172013955 /nfs/dbraw/zinc/01/39/55/172013955.db2.gz UAWNSCMOEJDAQV-SECBINFHSA-N 1 2 246.314 2.296 10 30 BEEELO CCn1c2ccccc2nc1C[NH2+]CCC#N ZINC000037979092 172145208 /nfs/dbraw/zinc/14/52/08/172145208.db2.gz AVOZDEKSYIXDAA-UHFFFAOYSA-N 1 2 228.299 2.059 10 30 BEEELO COc1ccc(CC[NH2+][C@H](C#N)C(C)C)cc1 ZINC000057520982 175091447 /nfs/dbraw/zinc/09/14/47/175091447.db2.gz STAFDWIFAMYCPX-CQSZACIVSA-N 1 2 232.327 2.375 10 30 BEEELO COc1cccc(CC[NH2+][C@H](C#N)C(C)C)c1 ZINC000057520972 175252350 /nfs/dbraw/zinc/25/23/50/175252350.db2.gz MATRFBRCNGCDJT-CQSZACIVSA-N 1 2 232.327 2.375 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121424267 177299590 /nfs/dbraw/zinc/29/95/90/177299590.db2.gz KDWMREKUSLIXTA-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121424267 177299591 /nfs/dbraw/zinc/29/95/91/177299591.db2.gz KDWMREKUSLIXTA-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000120916346 177300358 /nfs/dbraw/zinc/30/03/58/177300358.db2.gz QURWOTFCZRSVLU-QWRGUYRKSA-N 1 2 248.301 2.307 10 30 BEEELO CCC[C@@H]1C[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000399462539 266072497 /nfs/dbraw/zinc/07/24/97/266072497.db2.gz QNEVCMWRFQXLAA-MFKMUULPSA-N 1 2 215.300 2.284 10 30 BEEELO CCCn1cc(C[NH2+][C@@H](CC)CC#N)cn1 ZINC000135041315 323026635 /nfs/dbraw/zinc/02/66/35/323026635.db2.gz QTOLYRUNRUIOCQ-LBPRGKRZSA-N 1 2 220.320 2.075 10 30 BEEELO Cc1ccoc1CSC[C@](C)([NH3+])C#N ZINC000757164666 582545927 /nfs/dbraw/zinc/54/59/27/582545927.db2.gz HXQJUGGTYBQCEB-SNVBAGLBSA-N 1 2 210.302 2.062 10 30 BEEELO C[C@H](SCc1ccc(Cl)o1)[C@H]([NH3+])C#N ZINC000757165607 582547069 /nfs/dbraw/zinc/54/70/69/582547069.db2.gz MLBJRMUULFMRCZ-POYBYMJQSA-N 1 2 230.720 2.406 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000299928299 634402366 /nfs/dbraw/zinc/40/23/66/634402366.db2.gz FRDOLONHHXKVGX-XQQFMLRXSA-N 1 2 227.311 2.351 10 30 BEEELO CCCCCCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000713075067 712451856 /nfs/dbraw/zinc/45/18/56/712451856.db2.gz CJMZJKTVDNCFEL-SNVBAGLBSA-N 1 2 248.317 2.070 10 30 BEEELO Cc1cc([NH3+])ccc1N(CCC#N)C1CC1 ZINC000042531255 178106249 /nfs/dbraw/zinc/10/62/49/178106249.db2.gz QQDHGIUNHUDWKM-UHFFFAOYSA-N 1 2 215.300 2.460 10 30 BEEELO Cc1cc(NC[C@@H]2CC[C@@H](O)C2)c(C#N)c(C)[nH+]1 ZINC000235903579 178167449 /nfs/dbraw/zinc/16/74/49/178167449.db2.gz HZZISWBFYVVTNL-VXGBXAGGSA-N 1 2 245.326 2.143 10 30 BEEELO Cc1ocnc1CNc1cc(C)[nH+]c(C)c1C#N ZINC000301884582 178177397 /nfs/dbraw/zinc/17/73/97/178177397.db2.gz YYCLJLXLSLKFKP-UHFFFAOYSA-N 1 2 242.282 2.479 10 30 BEEELO Cc1cc2[nH+]c(CCO)n(CCC#N)c2cc1C ZINC000040310707 178302911 /nfs/dbraw/zinc/30/29/11/178302911.db2.gz OVLRQCNFQLVDKT-UHFFFAOYSA-N 1 2 243.310 2.102 10 30 BEEELO CCNC(=[NH+]N)c1cc(Cl)sc1Cl ZINC000233639768 342875598 /nfs/dbraw/zinc/87/55/98/342875598.db2.gz FVBWVGVGXKKONJ-UHFFFAOYSA-N 1 2 238.143 2.285 10 30 BEEELO C[C@@H](CC#N)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000134970651 343325520 /nfs/dbraw/zinc/32/55/20/343325520.db2.gz CCJHCKXBTSVDBU-ZETCQYMHSA-N 1 2 225.273 2.048 10 30 BEEELO C[C@@]([NH3+])(C#N)c1cccc(C(F)(F)F)c1 ZINC000022175590 343719846 /nfs/dbraw/zinc/71/98/46/343719846.db2.gz QKMQKDXDZBHTHP-SECBINFHSA-N 1 2 214.190 2.403 10 30 BEEELO COc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054825484 344471956 /nfs/dbraw/zinc/47/19/56/344471956.db2.gz PZNCQUQSWKXAOH-YPMHNXCESA-N 1 2 245.326 2.262 10 30 BEEELO C[C@@H]1CS[C@@H](c2ccccc2C#N)[NH2+]1 ZINC000235358404 344892340 /nfs/dbraw/zinc/89/23/40/344892340.db2.gz QGCRXOFRFXVEEW-KCJUWKMLSA-N 1 2 204.298 2.282 10 30 BEEELO C[C@@H]1SCC[C@]1(C#N)[NH+]1CCCCC1 ZINC000235386571 344899553 /nfs/dbraw/zinc/89/95/53/344899553.db2.gz PXKIJAXHGQUHFF-WDEREUQCSA-N 1 2 210.346 2.260 10 30 BEEELO C[C@H](c1cccc2ncccc21)[C@@H]([NH3+])C#N ZINC000142214605 345862456 /nfs/dbraw/zinc/86/24/56/345862456.db2.gz UPYLDIMOPBXFJE-SKDRFNHKSA-N 1 2 211.268 2.189 10 30 BEEELO C/[N+](O)=C\CC(=O)C=Cc1ccc(Cl)cc1 ZINC000225440981 370647804 /nfs/dbraw/zinc/64/78/04/370647804.db2.gz DFJBYUGBAUZOLR-JTMBQFMYSA-N 1 2 238.694 2.415 10 30 BEEELO O/N=C(\CCn1cc[nH+]c1)c1ccccc1 ZINC000169512068 346764093 /nfs/dbraw/zinc/76/40/93/346764093.db2.gz BWTGLMHXBMPCBS-WYMLVPIESA-N 1 2 215.256 2.152 10 30 BEEELO Cc1ccccc1CSC[C@H]([NH3+])C#N ZINC000054964618 179287736 /nfs/dbraw/zinc/28/77/36/179287736.db2.gz LMDRJCGXFXYQQU-LLVKDONJSA-N 1 2 206.314 2.079 10 30 BEEELO C[C@H](C#N)C[N@@H+]1CCc2sccc2C1 ZINC000036984995 347997517 /nfs/dbraw/zinc/99/75/17/347997517.db2.gz LTRRPMRXYQJGHB-SECBINFHSA-N 1 2 206.314 2.266 10 30 BEEELO C[C@H](C#N)C[N@H+]1CCc2sccc2C1 ZINC000036984995 347997519 /nfs/dbraw/zinc/99/75/19/347997519.db2.gz LTRRPMRXYQJGHB-SECBINFHSA-N 1 2 206.314 2.266 10 30 BEEELO Cc1nc([C@@H](C)[NH2+]CCC#N)c(C)s1 ZINC000020200229 180035812 /nfs/dbraw/zinc/03/58/12/180035812.db2.gz BYIHIVHQKCGYJQ-SSDOTTSWSA-N 1 2 209.318 2.324 10 30 BEEELO Cc1[nH+]c2ccccc2n1[C@H](C)C/C(N)=N/O ZINC000048258116 180104386 /nfs/dbraw/zinc/10/43/86/180104386.db2.gz QVXDMPUFQLSRKT-MRVPVSSYSA-N 1 2 232.287 2.042 10 30 BEEELO C=CC[NH+](CC=C)[C@@H](CC(C)C)C(=O)OC ZINC000220268198 350168831 /nfs/dbraw/zinc/16/88/31/350168831.db2.gz OENPMMJBPYBYMK-LBPRGKRZSA-N 1 2 225.332 2.248 10 30 BEEELO N#C[C@@]1([NH+]2CCCCCC2)CCSC1 ZINC000038086109 350304114 /nfs/dbraw/zinc/30/41/14/350304114.db2.gz VWDISYADPMGMCE-NSHDSACASA-N 1 2 210.346 2.262 10 30 BEEELO Cc1ccnc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000328197706 350392119 /nfs/dbraw/zinc/39/21/19/350392119.db2.gz RZZUQXRCDNSYDH-YPMHNXCESA-N 1 2 215.300 2.172 10 30 BEEELO CC(C)[C@H](C)N(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000036787408 188112380 /nfs/dbraw/zinc/11/23/80/188112380.db2.gz XTENLDKOPPYDJG-JTQLQIEISA-N 1 2 235.331 2.262 10 30 BEEELO CC#CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125762310 353200960 /nfs/dbraw/zinc/20/09/60/353200960.db2.gz PYMJFBZIRBRRLY-GFCCVEGCSA-N 1 2 221.325 2.145 10 30 BEEELO CC#CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125762310 353200964 /nfs/dbraw/zinc/20/09/64/353200964.db2.gz PYMJFBZIRBRRLY-GFCCVEGCSA-N 1 2 221.325 2.145 10 30 BEEELO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccnc1 ZINC000126064586 353218926 /nfs/dbraw/zinc/21/89/26/353218926.db2.gz JRJNJZZWBRFHHR-ZDUSSCGKSA-N 1 2 248.326 2.194 10 30 BEEELO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1cccnc1 ZINC000126064586 353218928 /nfs/dbraw/zinc/21/89/28/353218928.db2.gz JRJNJZZWBRFHHR-ZDUSSCGKSA-N 1 2 248.326 2.194 10 30 BEEELO Cc1cccc(CSC[C@@H]([NH3+])C#N)c1 ZINC000054966313 188178382 /nfs/dbraw/zinc/17/83/82/188178382.db2.gz PEJZKBKMIQUMHV-NSHDSACASA-N 1 2 206.314 2.079 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000070797525 353262467 /nfs/dbraw/zinc/26/24/67/353262467.db2.gz RVQFOXOOAIDZPH-JQWIXIFHSA-N 1 2 219.288 2.073 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1ccc(F)c(F)c1 ZINC000062451846 181055501 /nfs/dbraw/zinc/05/55/01/181055501.db2.gz XZGSUBLCXQXILI-ZETCQYMHSA-N 1 2 228.267 2.298 10 30 BEEELO N#C[C@@H]([NH3+])CSc1cccc(Cl)c1 ZINC000054186242 181056500 /nfs/dbraw/zinc/05/65/00/181056500.db2.gz LVUMCAVEKZMXBT-MRVPVSSYSA-N 1 2 212.705 2.283 10 30 BEEELO N#C[C@@H]([NH3+])CSc1ccc2c(c1)CCC2 ZINC000045365701 181056630 /nfs/dbraw/zinc/05/66/30/181056630.db2.gz NFPHQWYHDPXVKT-LLVKDONJSA-N 1 2 218.325 2.118 10 30 BEEELO N#C[C@H]([NH3+])COc1ccc2ccccc2c1 ZINC000019665977 181064820 /nfs/dbraw/zinc/06/48/20/181064820.db2.gz LJDATLVQSSKKMG-LBPRGKRZSA-N 1 2 212.252 2.069 10 30 BEEELO N#C[C@H]([NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000037939917 181066152 /nfs/dbraw/zinc/06/61/52/181066152.db2.gz QOYXMSUKHOQTKA-OLZOCXBDSA-N 1 2 222.332 2.227 10 30 BEEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335285438 181060916 /nfs/dbraw/zinc/06/09/16/181060916.db2.gz WJGKABGWXBDTBX-JOYOIKCWSA-N 1 2 219.263 2.003 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000335285436 181070069 /nfs/dbraw/zinc/07/00/69/181070069.db2.gz WJGKABGWXBDTBX-BXKDBHETSA-N 1 2 219.263 2.003 10 30 BEEELO N/C(CCCCOc1ccc(F)cc1F)=[NH+]/O ZINC000049580411 181183079 /nfs/dbraw/zinc/18/30/79/181183079.db2.gz DWLWMZKJQXMDPQ-UHFFFAOYSA-N 1 2 244.241 2.260 10 30 BEEELO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(C)no1 ZINC000330269052 356195849 /nfs/dbraw/zinc/19/58/49/356195849.db2.gz JAZABQLITDPYOO-SECBINFHSA-N 1 2 223.276 2.055 10 30 BEEELO CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(C)no1 ZINC000330269052 356195852 /nfs/dbraw/zinc/19/58/52/356195852.db2.gz JAZABQLITDPYOO-SECBINFHSA-N 1 2 223.276 2.055 10 30 BEEELO COCc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)o1 ZINC000350388123 366276510 /nfs/dbraw/zinc/27/65/10/366276510.db2.gz GROOHAIRCCEFGM-MFKMUULPSA-N 1 2 234.299 2.208 10 30 BEEELO C=C(Br)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000168273754 356708704 /nfs/dbraw/zinc/70/87/04/356708704.db2.gz BDXRFQJZUHUWKR-RKDXNWHRSA-N 1 2 229.121 2.177 10 30 BEEELO CCn1ccnc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000385257175 357034615 /nfs/dbraw/zinc/03/46/15/357034615.db2.gz XBAWUUDPTMFJGU-NEPJUHHUSA-N 1 2 232.331 2.075 10 30 BEEELO CCn1cc[nH+]c1CN[C@H]1CCCC[C@@H]1C#N ZINC000385257175 357034617 /nfs/dbraw/zinc/03/46/17/357034617.db2.gz XBAWUUDPTMFJGU-NEPJUHHUSA-N 1 2 232.331 2.075 10 30 BEEELO COc1cccc2c1C=C(C[C@H]([NH3+])C#N)CC2 ZINC000584626741 358296210 /nfs/dbraw/zinc/29/62/10/358296210.db2.gz BHKDIJZTSCKQSM-LBPRGKRZSA-N 1 2 228.295 2.266 10 30 BEEELO CCCn1cc(C[NH2+][C@H](CC)CC#N)cn1 ZINC000135041336 325390505 /nfs/dbraw/zinc/39/05/05/325390505.db2.gz QTOLYRUNRUIOCQ-GFCCVEGCSA-N 1 2 220.320 2.075 10 30 BEEELO CCCn1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000132283612 358714816 /nfs/dbraw/zinc/71/48/16/358714816.db2.gz ZHNBZMZNXFPZLB-LLVKDONJSA-N 1 2 220.320 2.027 10 30 BEEELO CCCn1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000132283612 358714818 /nfs/dbraw/zinc/71/48/18/358714818.db2.gz ZHNBZMZNXFPZLB-LLVKDONJSA-N 1 2 220.320 2.027 10 30 BEEELO C=CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000057824908 358907194 /nfs/dbraw/zinc/90/71/94/358907194.db2.gz GABRZECIZGWYFN-UHFFFAOYSA-N 1 2 226.283 2.445 10 30 BEEELO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309157502 491145735 /nfs/dbraw/zinc/14/57/35/491145735.db2.gz XSXWCKCJAZJTFL-KOLCDFICSA-N 1 2 206.289 2.436 10 30 BEEELO C=C1CC[NH+](Cc2ncccc2C(=O)OC)CC1 ZINC000382476358 367529701 /nfs/dbraw/zinc/52/97/01/367529701.db2.gz IXXYMLKFSHKXFU-UHFFFAOYSA-N 1 2 246.310 2.020 10 30 BEEELO C/C(=C/Cl)C[N@@H+]1CCCC[C@@H]1C=O ZINC000232010684 372089385 /nfs/dbraw/zinc/08/93/85/372089385.db2.gz GACXPYKHOCBLDW-ABRRARGCSA-N 1 2 201.697 2.182 10 30 BEEELO C/C(=C/Cl)C[N@H+]1CCCC[C@@H]1C=O ZINC000232010684 372089389 /nfs/dbraw/zinc/08/93/89/372089389.db2.gz GACXPYKHOCBLDW-ABRRARGCSA-N 1 2 201.697 2.182 10 30 BEEELO CCCN(CCC)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000019865688 169151930 /nfs/dbraw/zinc/15/19/30/169151930.db2.gz KBUJNIXXGSXKIH-UHFFFAOYSA-N 1 2 235.331 2.408 10 30 BEEELO CCC[C@@H](C)N(C)c1ccc(/C(N)=[NH+]/O)cc1 ZINC000057562466 169366723 /nfs/dbraw/zinc/36/67/23/169366723.db2.gz JQRIYQIVTFMYMZ-SNVBAGLBSA-N 1 2 235.331 2.406 10 30 BEEELO Cc1cc(N2CC[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000157401276 384424054 /nfs/dbraw/zinc/42/40/54/384424054.db2.gz CDGOXZFIVQBKPD-VIFPVBQESA-N 1 2 215.300 2.416 10 30 BEEELO N#C[C@@]1([NH2+]C2CCCC2)CCCSC1 ZINC000061590451 384519262 /nfs/dbraw/zinc/51/92/62/384519262.db2.gz QDWFOHDMPOYCID-NSHDSACASA-N 1 2 210.346 2.308 10 30 BEEELO Cc1cc[nH+]cc1NCc1ccc(C#N)o1 ZINC000119035375 384572704 /nfs/dbraw/zinc/57/27/04/384572704.db2.gz LJIKOUKKFNQTOF-UHFFFAOYSA-N 1 2 213.240 2.467 10 30 BEEELO COC(C)(C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000158083969 384849645 /nfs/dbraw/zinc/84/96/45/384849645.db2.gz CZWMKWFUYAMTOI-UHFFFAOYSA-N 1 2 233.315 2.407 10 30 BEEELO N#C[C@H]([NH3+])CC1=Cc2c(F)cccc2CC1 ZINC000238639252 385259101 /nfs/dbraw/zinc/25/91/01/385259101.db2.gz RNCAHUKHESQHTH-LLVKDONJSA-N 1 2 216.259 2.396 10 30 BEEELO CC#CC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119173575 385622546 /nfs/dbraw/zinc/62/25/46/385622546.db2.gz NZVFQCFSLCFZRU-OAHLLOKOSA-N 1 2 245.322 2.092 10 30 BEEELO CC#CC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000119173575 385622549 /nfs/dbraw/zinc/62/25/49/385622549.db2.gz NZVFQCFSLCFZRU-OAHLLOKOSA-N 1 2 245.322 2.092 10 30 BEEELO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2C#N)cs1 ZINC000054826251 385665192 /nfs/dbraw/zinc/66/51/92/385665192.db2.gz RMEVRALEXIFYOG-GXSJLCMTSA-N 1 2 221.329 2.233 10 30 BEEELO CSC1([C@H](C#N)[NH+]2CCCC2)CCC1 ZINC000307713785 386068588 /nfs/dbraw/zinc/06/85/88/386068588.db2.gz CKMYJOARJLKANE-JTQLQIEISA-N 1 2 210.346 2.260 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195437700 387917243 /nfs/dbraw/zinc/91/72/43/387917243.db2.gz OZTKJKAQNXWHEN-NSHDSACASA-N 1 2 238.356 2.401 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000195437700 387917248 /nfs/dbraw/zinc/91/72/48/387917248.db2.gz OZTKJKAQNXWHEN-NSHDSACASA-N 1 2 238.356 2.401 10 30 BEEELO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000164661612 388242197 /nfs/dbraw/zinc/24/21/97/388242197.db2.gz IXDRPKQSIUZYIX-WDEREUQCSA-N 1 2 204.273 2.370 10 30 BEEELO Cc1cccc(N2CC[NH+]([C@H](C)CC#N)CC2)c1 ZINC000048209005 132299821 /nfs/dbraw/zinc/29/98/21/132299821.db2.gz LDLNAIAOZZTJDF-CQSZACIVSA-N 1 2 243.354 2.419 10 30 BEEELO C[C@@H](CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000048208957 132355321 /nfs/dbraw/zinc/35/53/21/132355321.db2.gz ICFPUVWIFZINIK-LBPRGKRZSA-N 1 2 247.317 2.250 10 30 BEEELO C[C@H](CC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000048208918 132355355 /nfs/dbraw/zinc/35/53/55/132355355.db2.gz NYYYHDMAXADDDL-CYBMUJFWSA-N 1 2 229.327 2.111 10 30 BEEELO CCCN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000157387319 410065745 /nfs/dbraw/zinc/06/57/45/410065745.db2.gz LGJJBUMAEOMIDM-UHFFFAOYSA-N 1 2 203.289 2.416 10 30 BEEELO C#Cc1cccc(NCc2[nH]c[nH+]c2C)c1 ZINC000054793438 166224019 /nfs/dbraw/zinc/22/40/19/166224019.db2.gz CQFDVKZMRKVGTA-UHFFFAOYSA-N 1 2 211.268 2.312 10 30 BEEELO CN(C)/C=[NH+]/c1nc2ccc(O)cc2s1 ZINC000045238192 172351723 /nfs/dbraw/zinc/35/17/23/172351723.db2.gz YFJJQIUNFRZYIL-IZZDOVSWSA-N 1 2 221.285 2.223 10 30 BEEELO CN(C)/C=[NH+]\c1nc2ccc(O)cc2s1 ZINC000100173880 172352850 /nfs/dbraw/zinc/35/28/50/172352850.db2.gz YFJJQIUNFRZYIL-WDZFZDKYSA-N 1 2 221.285 2.223 10 30 BEEELO COc1ccc([C@H](C)[NH2+]CCC#N)c(OC)c1 ZINC000020199920 175188233 /nfs/dbraw/zinc/18/82/33/175188233.db2.gz ADYAOPAWERKLPY-JTQLQIEISA-N 1 2 234.299 2.268 10 30 BEEELO COc1cccc(NC2=[NH+]C[C@H](C)S2)c1 ZINC000035082648 175241529 /nfs/dbraw/zinc/24/15/29/175241529.db2.gz JTKAHLGWWOFGIK-QMMMGPOBSA-N 1 2 222.313 2.408 10 30 BEEELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1C#N ZINC000077368368 176346554 /nfs/dbraw/zinc/34/65/54/176346554.db2.gz GEXPRLMODCOTFR-VXGBXAGGSA-N 1 2 230.311 2.167 10 30 BEEELO C[C@@]([NH3+])(C#N)Cc1c(F)cccc1Cl ZINC000041226444 176509738 /nfs/dbraw/zinc/50/97/38/176509738.db2.gz VIFMCADSPROYSE-JTQLQIEISA-N 1 2 212.655 2.263 10 30 BEEELO C[C@@H]([NH2+]C[C@H](C)C#N)c1nc2ccccc2n1C ZINC000054179336 176554196 /nfs/dbraw/zinc/55/41/96/176554196.db2.gz AKCPNOKSSWNQRU-GHMZBOCLSA-N 1 2 242.326 2.384 10 30 BEEELO C[C@H]1CC(C)(C)C[C@](C#N)([NH2+]CCCO)C1 ZINC000053708788 177063914 /nfs/dbraw/zinc/06/39/14/177063914.db2.gz KXLCVYGJLKIMRG-WCQYABFASA-N 1 2 224.348 2.067 10 30 BEEELO C[C@H]1CCCC[C@@H]1OCCC/C(N)=[NH+]/O ZINC000019511822 177084523 /nfs/dbraw/zinc/08/45/23/177084523.db2.gz KVTNNEXUWPMIIX-UWVGGRQHSA-N 1 2 214.309 2.108 10 30 BEEELO C[C@H]1C[N@@H+]([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145854 177275102 /nfs/dbraw/zinc/27/51/02/177275102.db2.gz ZYEGYSKBJIIDGK-YNEHKIRRSA-N 1 2 222.332 2.180 10 30 BEEELO C[C@H]1C[N@H+]([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145854 177275103 /nfs/dbraw/zinc/27/51/03/177275103.db2.gz ZYEGYSKBJIIDGK-YNEHKIRRSA-N 1 2 222.332 2.180 10 30 BEEELO CCC[C@H]1C[C@@H]1Nc1cc(C)[nH+]cc1C#N ZINC000399462534 266080553 /nfs/dbraw/zinc/08/05/53/266080553.db2.gz QNEVCMWRFQXLAA-GWCFXTLKSA-N 1 2 215.300 2.284 10 30 BEEELO CCc1ccc(CSC[C@@](C)([NH3+])C#N)o1 ZINC000757165542 582547196 /nfs/dbraw/zinc/54/71/96/582547196.db2.gz MBQUEDLNYSJLJV-NSHDSACASA-N 1 2 224.329 2.316 10 30 BEEELO CCCn1cc(C[N@H+](CC)C[C@H](C)C#N)cn1 ZINC000120499337 535607847 /nfs/dbraw/zinc/60/78/47/535607847.db2.gz ACWHQNWATBSCEE-GFCCVEGCSA-N 1 2 234.347 2.275 10 30 BEEELO CCCn1cc(C[N@@H+](CC)C[C@H](C)C#N)cn1 ZINC000120499337 535607856 /nfs/dbraw/zinc/60/78/56/535607856.db2.gz ACWHQNWATBSCEE-GFCCVEGCSA-N 1 2 234.347 2.275 10 30 BEEELO CCCn1cc(C[N@H+](CC)C[C@@H](C)C#N)cn1 ZINC000120499150 535608230 /nfs/dbraw/zinc/60/82/30/535608230.db2.gz ACWHQNWATBSCEE-LBPRGKRZSA-N 1 2 234.347 2.275 10 30 BEEELO CCCn1cc(C[N@@H+](CC)C[C@@H](C)C#N)cn1 ZINC000120499150 535608232 /nfs/dbraw/zinc/60/82/32/535608232.db2.gz ACWHQNWATBSCEE-LBPRGKRZSA-N 1 2 234.347 2.275 10 30 BEEELO CCc1ccc(CSCC[C@H]([NH3+])C#N)o1 ZINC000757166840 582548153 /nfs/dbraw/zinc/54/81/53/582548153.db2.gz SINWFGFMHFIOCZ-VIFPVBQESA-N 1 2 224.329 2.316 10 30 BEEELO CCCCCCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000713075066 712452027 /nfs/dbraw/zinc/45/20/27/712452027.db2.gz CJMZJKTVDNCFEL-JTQLQIEISA-N 1 2 248.317 2.070 10 30 BEEELO C=C(C)C(=O)[C@@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000685962012 538908926 /nfs/dbraw/zinc/90/89/26/538908926.db2.gz QZBXCDZITDBXPL-AAEUAGOBSA-N 1 2 233.311 2.064 10 30 BEEELO C[C@H](C#N)C[N@H+](C)CC#Cc1ccccc1 ZINC000051814462 136209754 /nfs/dbraw/zinc/20/97/54/136209754.db2.gz IDMCCBIZVUYWOC-CYBMUJFWSA-N 1 2 212.296 2.130 10 30 BEEELO C[C@H](C#N)C[N@@H+](C)CC#Cc1ccccc1 ZINC000051814462 136209755 /nfs/dbraw/zinc/20/97/55/136209755.db2.gz IDMCCBIZVUYWOC-CYBMUJFWSA-N 1 2 212.296 2.130 10 30 BEEELO Cc1cc(NCC(F)F)c(C#N)c(C)[nH+]1 ZINC000129415661 178157358 /nfs/dbraw/zinc/15/73/58/178157358.db2.gz UVSZRRVLSDXSLO-UHFFFAOYSA-N 1 2 211.215 2.247 10 30 BEEELO Cc1cc(NC[C@H](C)C[C@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301796742 178169086 /nfs/dbraw/zinc/16/90/86/178169086.db2.gz TZUUAONWYRAJRB-KOLCDFICSA-N 1 2 247.342 2.389 10 30 BEEELO Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)c(C#N)c(C)[nH+]1 ZINC000128767136 178183881 /nfs/dbraw/zinc/18/38/81/178183881.db2.gz HNBKRAFUQMQIOG-CHWSQXEVSA-N 1 2 245.326 2.141 10 30 BEEELO c1ccc2c(c1)[nH+]ccc2OC[C@H]1CO1 ZINC000148401799 342791083 /nfs/dbraw/zinc/79/10/83/342791083.db2.gz PXKDVPDQJFUYFG-SECBINFHSA-N 1 2 201.225 2.012 10 30 BEEELO Cc1c(F)cccc1NC1=[NH+]CCS1 ZINC000043321515 343051345 /nfs/dbraw/zinc/05/13/45/343051345.db2.gz SUFACCICNPSSOR-UHFFFAOYSA-N 1 2 210.277 2.458 10 30 BEEELO COc1ccc(SC)c2c1C[C@]([NH3+])(C#N)CC2 ZINC000038919293 343380366 /nfs/dbraw/zinc/38/03/66/343380366.db2.gz CDAKNABRRDMOJJ-ZDUSSCGKSA-N 1 2 248.351 2.127 10 30 BEEELO C[C@@]([NH3+])(C#N)Cc1ccc(Br)cc1 ZINC000041281418 343418397 /nfs/dbraw/zinc/41/83/97/343418397.db2.gz SDMLEHWFXRFIST-JTQLQIEISA-N 1 2 239.116 2.233 10 30 BEEELO C[C@@H](C#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224791037 344834228 /nfs/dbraw/zinc/83/42/28/344834228.db2.gz KHTCOYXDROKQHV-WCQYABFASA-N 1 2 200.285 2.388 10 30 BEEELO C[C@@H](C#N)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224791037 344834231 /nfs/dbraw/zinc/83/42/31/344834231.db2.gz KHTCOYXDROKQHV-WCQYABFASA-N 1 2 200.285 2.388 10 30 BEEELO C[C@@H]1SCC[C@@]1(C#N)[NH2+]C1CCCC1 ZINC000235396883 344901884 /nfs/dbraw/zinc/90/18/84/344901884.db2.gz DZHCJMREFURBIG-ONGXEEELSA-N 1 2 210.346 2.306 10 30 BEEELO C[C@H]1SCC[C@]1(C#N)[NH+]1CCCCC1 ZINC000235662586 344977269 /nfs/dbraw/zinc/97/72/69/344977269.db2.gz PXKIJAXHGQUHFF-GHMZBOCLSA-N 1 2 210.346 2.260 10 30 BEEELO C[C@H]1CS[C@@H](c2ccccc2C#N)[NH2+]1 ZINC000235672291 345006484 /nfs/dbraw/zinc/00/64/84/345006484.db2.gz QGCRXOFRFXVEEW-KWQFWETISA-N 1 2 204.298 2.282 10 30 BEEELO C=CC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158831066 345381780 /nfs/dbraw/zinc/38/17/80/345381780.db2.gz RALACMUYEJYXGN-GFCCVEGCSA-N 1 2 207.273 2.147 10 30 BEEELO C=CC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158831066 345381782 /nfs/dbraw/zinc/38/17/82/345381782.db2.gz RALACMUYEJYXGN-GFCCVEGCSA-N 1 2 207.273 2.147 10 30 BEEELO C[C@@H](c1cccc2ncccc21)[C@@H]([NH3+])C#N ZINC000142214793 345862261 /nfs/dbraw/zinc/86/22/61/345862261.db2.gz UPYLDIMOPBXFJE-CABZTGNLSA-N 1 2 211.268 2.189 10 30 BEEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000309575149 347107529 /nfs/dbraw/zinc/10/75/29/347107529.db2.gz ONUOBWAEWUHPDF-ZYHUDNBSSA-N 1 2 219.263 2.003 10 30 BEEELO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674768 350823720 /nfs/dbraw/zinc/82/37/20/350823720.db2.gz RCFULLBMPNJIFF-ZFWWWQNUSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674768 350823722 /nfs/dbraw/zinc/82/37/22/350823722.db2.gz RCFULLBMPNJIFF-ZFWWWQNUSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H](C#N)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000307020539 351424757 /nfs/dbraw/zinc/42/47/57/351424757.db2.gz TVYKYLSHLYBJFK-QWHCGFSZSA-N 1 2 232.327 2.341 10 30 BEEELO N#Cc1ccc(Oc2cc[nH+]cc2)c(N)c1 ZINC000042410844 188119209 /nfs/dbraw/zinc/11/92/09/188119209.db2.gz QXRDIFBCQBHJEO-UHFFFAOYSA-N 1 2 211.224 2.328 10 30 BEEELO COc1ccc(N)cc1C[N@H+](CCC#N)C1CC1 ZINC000042530965 188120828 /nfs/dbraw/zinc/12/08/28/188120828.db2.gz PBGRNQGUPBVZDD-UHFFFAOYSA-N 1 2 245.326 2.155 10 30 BEEELO COc1ccc(N)cc1C[N@@H+](CCC#N)C1CC1 ZINC000042530965 188120829 /nfs/dbraw/zinc/12/08/29/188120829.db2.gz PBGRNQGUPBVZDD-UHFFFAOYSA-N 1 2 245.326 2.155 10 30 BEEELO C=CCc1cccc2[nH+]c(NCCCO)[nH]c21 ZINC000005283190 188224838 /nfs/dbraw/zinc/22/48/38/188224838.db2.gz YPIUARLFZIUZSZ-UHFFFAOYSA-N 1 2 231.299 2.086 10 30 BEEELO C=CCc1cccc2[nH]c(NCCCO)[nH+]c21 ZINC000005283190 188224839 /nfs/dbraw/zinc/22/48/39/188224839.db2.gz YPIUARLFZIUZSZ-UHFFFAOYSA-N 1 2 231.299 2.086 10 30 BEEELO C=C(C)COCCNc1cc[nH+]c(C2CC2)n1 ZINC000131986988 353374601 /nfs/dbraw/zinc/37/46/01/353374601.db2.gz CIWIQXVVSQOUFF-UHFFFAOYSA-N 1 2 233.315 2.359 10 30 BEEELO N#CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000055019798 181044977 /nfs/dbraw/zinc/04/49/77/181044977.db2.gz PETPVEQHJPAYIN-KBPBESRZSA-N 1 2 230.311 2.098 10 30 BEEELO N#CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000055019798 181044978 /nfs/dbraw/zinc/04/49/78/181044978.db2.gz PETPVEQHJPAYIN-KBPBESRZSA-N 1 2 230.311 2.098 10 30 BEEELO N#C[C@H]([NH3+])COc1ccc(Cl)c(Cl)c1 ZINC000019666084 181064539 /nfs/dbraw/zinc/06/45/39/181064539.db2.gz DOKLZHVHXJZJFR-LURJTMIESA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])COc1cccc(Cl)c1Cl ZINC000019666072 181064810 /nfs/dbraw/zinc/06/48/10/181064810.db2.gz QGZRMSMNAMTKQP-LURJTMIESA-N 1 2 231.082 2.223 10 30 BEEELO N#C[C@H]([NH3+])CCSc1ccccc1F ZINC000062453341 181064858 /nfs/dbraw/zinc/06/48/58/181064858.db2.gz WKGXYCNCIJJQKT-MRVPVSSYSA-N 1 2 210.277 2.159 10 30 BEEELO N#C[C@]1(Nc2cccc(F)c2)C[NH+]2CCC1CC2 ZINC000037937122 181071841 /nfs/dbraw/zinc/07/18/41/181071841.db2.gz LXCKOHLTCNJSEI-AWEZNQCLSA-N 1 2 245.301 2.226 10 30 BEEELO N#Cc1cc(Nc2ccc(N)c[nH+]2)ccc1F ZINC000051636088 181091409 /nfs/dbraw/zinc/09/14/09/181091409.db2.gz GNRLMLSXBZRWTK-UHFFFAOYSA-N 1 2 228.230 2.418 10 30 BEEELO N/C(CCCSc1ccccc1)=[NH+]\O ZINC000019847695 181183153 /nfs/dbraw/zinc/18/31/53/181183153.db2.gz YWTOFUGDRNWNOW-UHFFFAOYSA-N 1 2 210.302 2.305 10 30 BEEELO Cc1cc(NCC2CC2)c(C#N)c(C)[nH+]1 ZINC000087975042 356384937 /nfs/dbraw/zinc/38/49/37/356384937.db2.gz RMKKKTPNZHNMCQ-UHFFFAOYSA-N 1 2 201.273 2.392 10 30 BEEELO Cc1nnsc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000384211364 356481362 /nfs/dbraw/zinc/48/13/62/356481362.db2.gz CNBLUKGCKNMDIQ-NXEZZACHSA-N 1 2 236.344 2.019 10 30 BEEELO COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000350388122 366276024 /nfs/dbraw/zinc/27/60/24/366276024.db2.gz GROOHAIRCCEFGM-GXFFZTMASA-N 1 2 234.299 2.208 10 30 BEEELO CCn1ccnc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000385257177 357034237 /nfs/dbraw/zinc/03/42/37/357034237.db2.gz XBAWUUDPTMFJGU-RYUDHWBXSA-N 1 2 232.331 2.075 10 30 BEEELO CCn1cc[nH+]c1CN[C@H]1CCCC[C@H]1C#N ZINC000385257177 357034243 /nfs/dbraw/zinc/03/42/43/357034243.db2.gz XBAWUUDPTMFJGU-RYUDHWBXSA-N 1 2 232.331 2.075 10 30 BEEELO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000230686526 357549689 /nfs/dbraw/zinc/54/96/89/357549689.db2.gz LCXXBRZRPWSQNX-TZMCWYRMSA-N 1 2 225.295 2.340 10 30 BEEELO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000230686533 357549990 /nfs/dbraw/zinc/54/99/90/357549990.db2.gz LCXXBRZRPWSQNX-GXTWGEPZSA-N 1 2 225.295 2.340 10 30 BEEELO C=CC[N@@H+](C)[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595450 358253225 /nfs/dbraw/zinc/25/32/25/358253225.db2.gz VYNCNGNANFHEIP-ZDUSSCGKSA-N 1 2 249.310 2.027 10 30 BEEELO C=CC[N@H+](C)[C@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595450 358253227 /nfs/dbraw/zinc/25/32/27/358253227.db2.gz VYNCNGNANFHEIP-ZDUSSCGKSA-N 1 2 249.310 2.027 10 30 BEEELO CCn1cc[nH+]c1CNc1ccc(C#N)cc1 ZINC000051920907 358767343 /nfs/dbraw/zinc/76/73/43/358767343.db2.gz XGZWGRHOSDSRSF-UHFFFAOYSA-N 1 2 226.283 2.387 10 30 BEEELO CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cs1 ZINC000132442855 358722908 /nfs/dbraw/zinc/72/29/08/358722908.db2.gz IFBZCXINVRQSON-MWLCHTKSSA-N 1 2 235.356 2.487 10 30 BEEELO Cc1cccnc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000070908711 359065138 /nfs/dbraw/zinc/06/51/38/359065138.db2.gz HVYOSIHDHVDDIM-NEPJUHHUSA-N 1 2 215.300 2.172 10 30 BEEELO C[C@@H]1C[C@](C#N)(N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000306254134 359465494 /nfs/dbraw/zinc/46/54/94/359465494.db2.gz UCAAAVBXTDLRPO-UKRRQHHQSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@@H]1C[C@](C#N)(N(C)C)C[N@H+]1Cc1ccccc1 ZINC000306254134 359465498 /nfs/dbraw/zinc/46/54/98/359465498.db2.gz UCAAAVBXTDLRPO-UKRRQHHQSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1C[C@@](C#N)(N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000306254135 359465867 /nfs/dbraw/zinc/46/58/67/359465867.db2.gz UCAAAVBXTDLRPO-ZFWWWQNUSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1C[C@@](C#N)(N(C)C)C[N@H+]1Cc1ccccc1 ZINC000306254135 359465869 /nfs/dbraw/zinc/46/58/69/359465869.db2.gz UCAAAVBXTDLRPO-ZFWWWQNUSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccccn1 ZINC000088169815 359939313 /nfs/dbraw/zinc/93/93/13/359939313.db2.gz HPRZIHAHZARWJJ-GVXVVHGQSA-N 1 2 215.300 2.424 10 30 BEEELO CC(C)n1nccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000354651527 366805670 /nfs/dbraw/zinc/80/56/70/366805670.db2.gz BZUBWLNOSPDJRY-YPMHNXCESA-N 1 2 232.331 2.246 10 30 BEEELO C[C@]([NH3+])(C#N)CSc1ncccc1Cl ZINC000070615726 361631996 /nfs/dbraw/zinc/63/19/96/361631996.db2.gz BOXNXVFWLLNZJC-VIFPVBQESA-N 1 2 227.720 2.068 10 30 BEEELO C=C(C)C[N@@H+](CC)Cc1nnc(C(C)C)n1C ZINC000195430207 367360298 /nfs/dbraw/zinc/36/02/98/367360298.db2.gz BJKGFQNHMWXBEA-UHFFFAOYSA-N 1 2 236.363 2.337 10 30 BEEELO C=C(C)C[N@H+](CC)Cc1nnc(C(C)C)n1C ZINC000195430207 367360307 /nfs/dbraw/zinc/36/03/07/367360307.db2.gz BJKGFQNHMWXBEA-UHFFFAOYSA-N 1 2 236.363 2.337 10 30 BEEELO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)sn1 ZINC000404479805 369430677 /nfs/dbraw/zinc/43/06/77/369430677.db2.gz DQRGQXOJBOXUSU-MWLCHTKSSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)sn1 ZINC000404479801 369430767 /nfs/dbraw/zinc/43/07/67/369430767.db2.gz DQRGQXOJBOXUSU-GXSJLCMTSA-N 1 2 221.329 2.233 10 30 BEEELO CCCN(c1ccc(/C(N)=[NH+]/O)cc1)C(C)C ZINC000037096258 169182682 /nfs/dbraw/zinc/18/26/82/169182682.db2.gz YVNDIPJZCOBNOL-UHFFFAOYSA-N 1 2 235.331 2.406 10 30 BEEELO Cc1cc(N2CC[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000157401430 384426834 /nfs/dbraw/zinc/42/68/34/384426834.db2.gz CDGOXZFIVQBKPD-SECBINFHSA-N 1 2 215.300 2.416 10 30 BEEELO Cc1cc(NC[C@H]2CCC[C@H]2O)c(C#N)c(C)[nH+]1 ZINC000157454173 384479594 /nfs/dbraw/zinc/47/95/94/384479594.db2.gz BECWLNUJCJLCNA-BXUZGUMPSA-N 1 2 245.326 2.143 10 30 BEEELO Cc1csc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000054825970 385665813 /nfs/dbraw/zinc/66/58/13/385665813.db2.gz APWXALLCTNYXFG-ZJUUUORDSA-N 1 2 221.329 2.233 10 30 BEEELO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)o1 ZINC000054829795 385666605 /nfs/dbraw/zinc/66/66/05/385666605.db2.gz HZMNCQWJJZXZOV-CMPLNLGQSA-N 1 2 204.273 2.370 10 30 BEEELO C=C(C)C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171666222 387829711 /nfs/dbraw/zinc/82/97/11/387829711.db2.gz VRZHTQDPIXEBCU-SNVBAGLBSA-N 1 2 224.329 2.093 10 30 BEEELO C=C(C)C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171666222 387829716 /nfs/dbraw/zinc/82/97/16/387829716.db2.gz VRZHTQDPIXEBCU-SNVBAGLBSA-N 1 2 224.329 2.093 10 30 BEEELO C[C@@H]1CCCN(c2ccc(/C(N)=[NH+]/O)cc2)[C@@H]1C ZINC000060117360 132368781 /nfs/dbraw/zinc/36/87/81/132368781.db2.gz PLVQBHNDICOVQZ-GHMZBOCLSA-N 1 2 247.342 2.406 10 30 BEEELO C[C@H](C#N)[N@@H+]1CCCc2ccccc2CC1 ZINC000336291381 134142170 /nfs/dbraw/zinc/14/21/70/134142170.db2.gz AXSFIZDUPQBODD-GFCCVEGCSA-N 1 2 214.312 2.389 10 30 BEEELO C[C@H](C#N)[N@H+]1CCCc2ccccc2CC1 ZINC000336291381 134142171 /nfs/dbraw/zinc/14/21/71/134142171.db2.gz AXSFIZDUPQBODD-GFCCVEGCSA-N 1 2 214.312 2.389 10 30 BEEELO COc1ccc([C@@H]2C[C@H](C)[N@H+](CC#N)C2)cc1 ZINC000076390309 135033586 /nfs/dbraw/zinc/03/35/86/135033586.db2.gz VHJQFFJQUFPYEY-WCQYABFASA-N 1 2 230.311 2.397 10 30 BEEELO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC#N)C2)cc1 ZINC000076390309 135033587 /nfs/dbraw/zinc/03/35/87/135033587.db2.gz VHJQFFJQUFPYEY-WCQYABFASA-N 1 2 230.311 2.397 10 30 BEEELO C#Cc1cccc(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054797678 166223612 /nfs/dbraw/zinc/22/36/12/166223612.db2.gz QVOMLDSMYRYFIZ-UHFFFAOYSA-N 1 2 211.268 2.312 10 30 BEEELO C#Cc1cccc(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054797678 166223614 /nfs/dbraw/zinc/22/36/14/166223614.db2.gz QVOMLDSMYRYFIZ-UHFFFAOYSA-N 1 2 211.268 2.312 10 30 BEEELO CCN[C@](C)(C#N)C[NH+]1CCC(C)(C)CC1 ZINC000061821655 170169505 /nfs/dbraw/zinc/16/95/05/170169505.db2.gz RFHCQSCLEZVECI-CYBMUJFWSA-N 1 2 223.364 2.000 10 30 BEEELO COCCC[NH2+][C@H](C#N)C1CCCCC1 ZINC000071512310 174250741 /nfs/dbraw/zinc/25/07/41/174250741.db2.gz WCZBIWJJJBGKFX-GFCCVEGCSA-N 1 2 210.321 2.085 10 30 BEEELO C[C@@H](OCCC/C(N)=[NH+]/O)c1ccccc1 ZINC000019519479 176002233 /nfs/dbraw/zinc/00/22/33/176002233.db2.gz QMNOQSALJSGOJB-SNVBAGLBSA-N 1 2 222.288 2.291 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000120916216 177298668 /nfs/dbraw/zinc/29/86/68/177298668.db2.gz QURWOTFCZRSVLU-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000120916216 177298669 /nfs/dbraw/zinc/29/86/69/177298669.db2.gz QURWOTFCZRSVLU-PHIMTYICSA-N 1 2 248.301 2.307 10 30 BEEELO N#Cc1ccc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000135176636 269962326 /nfs/dbraw/zinc/96/23/26/269962326.db2.gz LIOCTOQTJIBNNG-ZDUSSCGKSA-N 1 2 240.262 2.375 10 30 BEEELO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248818427 534442261 /nfs/dbraw/zinc/44/22/61/534442261.db2.gz IVMGXPZBCWBTMK-HBNTYKKESA-N 1 2 243.734 2.012 10 30 BEEELO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248818427 534442266 /nfs/dbraw/zinc/44/22/66/534442266.db2.gz IVMGXPZBCWBTMK-HBNTYKKESA-N 1 2 243.734 2.012 10 30 BEEELO ON=C(C[NH+]1CCCCC1)c1ccccc1 ZINC000254701525 527643653 /nfs/dbraw/zinc/64/36/53/527643653.db2.gz ONQHVDKNKWGSIH-UHFFFAOYSA-N 1 2 218.300 2.351 10 30 BEEELO C#CCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757131773 582506169 /nfs/dbraw/zinc/50/61/69/582506169.db2.gz QGWGVJVWWAIINZ-UHFFFAOYSA-N 1 2 200.285 2.114 10 30 BEEELO N#CCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125743050 136213109 /nfs/dbraw/zinc/21/31/09/136213109.db2.gz KXTJAZWAJVCJJR-GFCCVEGCSA-N 1 2 236.340 2.425 10 30 BEEELO N#CCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125743050 136213110 /nfs/dbraw/zinc/21/31/10/136213110.db2.gz KXTJAZWAJVCJJR-GFCCVEGCSA-N 1 2 236.340 2.425 10 30 BEEELO Cc1cc(NCCCCCO)c(C#N)c(C)[nH+]1 ZINC000228725904 178158751 /nfs/dbraw/zinc/15/87/51/178158751.db2.gz OIZFNVGKFFOPDT-UHFFFAOYSA-N 1 2 233.315 2.145 10 30 BEEELO Cc1cc(NCCOCC2CC2)c(C#N)c(C)[nH+]1 ZINC000227593612 178161235 /nfs/dbraw/zinc/16/12/35/178161235.db2.gz DVQRSAPWOIRSRE-UHFFFAOYSA-N 1 2 245.326 2.409 10 30 BEEELO Cc1cc(NC[C@@H](C)C[C@H](C)O)c(C#N)c(C)[nH+]1 ZINC000301796744 178164619 /nfs/dbraw/zinc/16/46/19/178164619.db2.gz TZUUAONWYRAJRB-ONGXEEELSA-N 1 2 247.342 2.389 10 30 BEEELO CC(C)(C)[N+](=O)Cc1cc([N+](=O)[O-])ccc1O ZINC000003972768 342740226 /nfs/dbraw/zinc/74/02/26/342740226.db2.gz NRIBJVUWCXGSDL-GHXNOFRVSA-N 1 2 238.243 2.028 10 30 BEEELO Cc1ccc(C)c(OCC[C@@H]([NH3+])C#N)c1C ZINC000019666674 178489997 /nfs/dbraw/zinc/48/99/97/178489997.db2.gz YUUXTOBUIINKMR-GFCCVEGCSA-N 1 2 218.300 2.232 10 30 BEEELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000334177600 343830198 /nfs/dbraw/zinc/83/01/98/343830198.db2.gz ATLYHIHKJUHYEN-QWRGUYRKSA-N 1 2 248.301 2.307 10 30 BEEELO C=C[C@H](c1ccsc1)[NH+]1CCOCC1 ZINC000306767387 343884506 /nfs/dbraw/zinc/88/45/06/343884506.db2.gz CLDVKIRBBLDYJM-LLVKDONJSA-N 1 2 209.314 2.307 10 30 BEEELO N#Cc1ccc(Cl)cc1-n1cc[nH+]c1 ZINC000062790117 347023876 /nfs/dbraw/zinc/02/38/76/347023876.db2.gz HLNRRBAWELPLST-UHFFFAOYSA-N 1 2 203.632 2.397 10 30 BEEELO COc1ncccc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054825486 344471719 /nfs/dbraw/zinc/47/17/19/344471719.db2.gz PZNCQUQSWKXAOH-AAEUAGOBSA-N 1 2 245.326 2.262 10 30 BEEELO Cc1cccc(SC[C@@](C)([NH3+])C#N)c1 ZINC000045220421 179177847 /nfs/dbraw/zinc/17/78/47/179177847.db2.gz NUKGENZIPMCEOI-NSHDSACASA-N 1 2 206.314 2.328 10 30 BEEELO C[N@H+](Cc1ccncc1)[C@H]1CCC[C@@H]1C#N ZINC000036776128 347464021 /nfs/dbraw/zinc/46/40/21/347464021.db2.gz GWMOYZQOUTWPGP-OLZOCXBDSA-N 1 2 215.300 2.206 10 30 BEEELO C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H]1C#N ZINC000036776128 347464025 /nfs/dbraw/zinc/46/40/25/347464025.db2.gz GWMOYZQOUTWPGP-OLZOCXBDSA-N 1 2 215.300 2.206 10 30 BEEELO CN(C)[C@]1(C#N)CCC[N@H+](Cc2ccccc2)C1 ZINC000037354686 348353586 /nfs/dbraw/zinc/35/35/86/348353586.db2.gz QLRSMQITZVQMKY-HNNXBMFYSA-N 1 2 243.354 2.106 10 30 BEEELO CN(C)[C@]1(C#N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000037354686 348353589 /nfs/dbraw/zinc/35/35/89/348353589.db2.gz QLRSMQITZVQMKY-HNNXBMFYSA-N 1 2 243.354 2.106 10 30 BEEELO CCCCCCCC[NH2+]CC(=O)OC ZINC000059058293 349200226 /nfs/dbraw/zinc/20/02/26/349200226.db2.gz YAZCLELXPSBXDX-UHFFFAOYSA-N 1 2 201.310 2.110 10 30 BEEELO Cc1nc([C@H](C)[NH2+]C[C@H](C)C#N)cs1 ZINC000054180883 180049856 /nfs/dbraw/zinc/04/98/56/180049856.db2.gz QUXNUKKKQSCVEZ-SFYZADRCSA-N 1 2 209.318 2.262 10 30 BEEELO Cc1[nH+]c2cc(CCS)ccc2n1C ZINC000077299930 180077639 /nfs/dbraw/zinc/07/76/39/180077639.db2.gz PSGGJEZGVAZSPN-UHFFFAOYSA-N 1 2 206.314 2.354 10 30 BEEELO Cc1nccc(C[NH2+][C@H]2CCCCC[C@H]2C#N)n1 ZINC000054825896 180190957 /nfs/dbraw/zinc/19/09/57/180190957.db2.gz IOTDFEVSZNPIIA-JSGCOSHPSA-N 1 2 244.342 2.347 10 30 BEEELO CC(C)(C)N1CC[NH2+][C@H](c2ccc(C#N)cc2)C1 ZINC000616633006 351114717 /nfs/dbraw/zinc/11/47/17/351114717.db2.gz VTAZMGCEIBLGKJ-AWEZNQCLSA-N 1 2 243.354 2.303 10 30 BEEELO CC(=O)Nc1cccc(NC2=[NH+]CCCS2)c1 ZINC000034971988 351369813 /nfs/dbraw/zinc/36/98/13/351369813.db2.gz DOLFAJYRENOWDW-UHFFFAOYSA-N 1 2 249.339 2.359 10 30 BEEELO C/C(=[NH+]/N)c1cc(Cl)c(N)c(Cl)c1 ZINC000307245844 351751597 /nfs/dbraw/zinc/75/15/97/351751597.db2.gz WPEXPBRDEUNAKB-PQMHYQBVSA-N 1 2 218.087 2.258 10 30 BEEELO C[C@@H]1CC[N@H+](C[C@H](C#N)C(F)(F)F)C1 ZINC000300027330 352553243 /nfs/dbraw/zinc/55/32/43/352553243.db2.gz BVLUCDRHTWJQRY-SFYZADRCSA-N 1 2 206.211 2.030 10 30 BEEELO C[C@@H]1CC[N@@H+](C[C@H](C#N)C(F)(F)F)C1 ZINC000300027330 352553244 /nfs/dbraw/zinc/55/32/44/352553244.db2.gz BVLUCDRHTWJQRY-SFYZADRCSA-N 1 2 206.211 2.030 10 30 BEEELO CC#CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125762083 353195476 /nfs/dbraw/zinc/19/54/76/353195476.db2.gz PYMJFBZIRBRRLY-LBPRGKRZSA-N 1 2 221.325 2.145 10 30 BEEELO CC#CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125762083 353195479 /nfs/dbraw/zinc/19/54/79/353195479.db2.gz PYMJFBZIRBRRLY-LBPRGKRZSA-N 1 2 221.325 2.145 10 30 BEEELO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000070797523 353262665 /nfs/dbraw/zinc/26/26/65/353262665.db2.gz RVQFOXOOAIDZPH-PWSUYJOCSA-N 1 2 219.288 2.073 10 30 BEEELO N#C[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000035229595 181055505 /nfs/dbraw/zinc/05/55/05/181055505.db2.gz RVMGPMJVOPROMO-CYBMUJFWSA-N 1 2 200.285 2.217 10 30 BEEELO N#C[C@@H]([NH3+])CCSc1cc(F)ccc1F ZINC000062456570 181055698 /nfs/dbraw/zinc/05/56/98/181055698.db2.gz XTEMTKASDXNXOJ-QMMMGPOBSA-N 1 2 228.267 2.298 10 30 BEEELO N#C[C@@H]([NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000037939914 181056890 /nfs/dbraw/zinc/05/68/90/181056890.db2.gz QOYXMSUKHOQTKA-QWHCGFSZSA-N 1 2 222.332 2.227 10 30 BEEELO N#C[C@H]([NH2+]C1CCCCC1)C1CCOCC1 ZINC000052178928 181065647 /nfs/dbraw/zinc/06/56/47/181065647.db2.gz PUHOBPITKDHFOB-ZDUSSCGKSA-N 1 2 222.332 2.227 10 30 BEEELO N#C[C@@]1(Nc2ccc(F)cc2)C[NH+]2CCC1CC2 ZINC000037935912 181062596 /nfs/dbraw/zinc/06/25/96/181062596.db2.gz SQTDLFZICHXMIV-CQSZACIVSA-N 1 2 245.301 2.226 10 30 BEEELO N#C[C@]1(Nc2ccc(F)cc2)C[NH+]2CCC1CC2 ZINC000037935913 181072159 /nfs/dbraw/zinc/07/21/59/181072159.db2.gz SQTDLFZICHXMIV-AWEZNQCLSA-N 1 2 245.301 2.226 10 30 BEEELO N#C[C@H]1CCC[C@@H]1[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000061891443 181068805 /nfs/dbraw/zinc/06/88/05/181068805.db2.gz COYCQQZCAUBNQG-JIMOISOXSA-N 1 2 244.294 2.108 10 30 BEEELO C[C@H]1CC[N@H+](C[C@H](C#N)C(F)(F)F)C1 ZINC000300027331 357172406 /nfs/dbraw/zinc/17/24/06/357172406.db2.gz BVLUCDRHTWJQRY-YUMQZZPRSA-N 1 2 206.211 2.030 10 30 BEEELO C[C@H]1CC[N@@H+](C[C@H](C#N)C(F)(F)F)C1 ZINC000300027331 357172411 /nfs/dbraw/zinc/17/24/11/357172411.db2.gz BVLUCDRHTWJQRY-YUMQZZPRSA-N 1 2 206.211 2.030 10 30 BEEELO N#Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000230686530 357549642 /nfs/dbraw/zinc/54/96/42/357549642.db2.gz LCXXBRZRPWSQNX-OCCSQVGLSA-N 1 2 225.295 2.340 10 30 BEEELO C=CC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595448 358253324 /nfs/dbraw/zinc/25/33/24/358253324.db2.gz VYNCNGNANFHEIP-CYBMUJFWSA-N 1 2 249.310 2.027 10 30 BEEELO C=CC[N@H+](C)[C@@H](C(=O)OC)c1ccc(OC)cc1 ZINC000584595448 358253327 /nfs/dbraw/zinc/25/33/27/358253327.db2.gz VYNCNGNANFHEIP-CYBMUJFWSA-N 1 2 249.310 2.027 10 30 BEEELO N#CCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127586356 358564531 /nfs/dbraw/zinc/56/45/31/358564531.db2.gz PGLPNBJKNSAVPX-CQSZACIVSA-N 1 2 246.310 2.069 10 30 BEEELO N#CCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127586356 358564535 /nfs/dbraw/zinc/56/45/35/358564535.db2.gz PGLPNBJKNSAVPX-CQSZACIVSA-N 1 2 246.310 2.069 10 30 BEEELO CCCn1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000132283423 358714700 /nfs/dbraw/zinc/71/47/00/358714700.db2.gz ZHNBZMZNXFPZLB-NSHDSACASA-N 1 2 220.320 2.027 10 30 BEEELO CCCn1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000132283423 358714701 /nfs/dbraw/zinc/71/47/01/358714701.db2.gz ZHNBZMZNXFPZLB-NSHDSACASA-N 1 2 220.320 2.027 10 30 BEEELO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccn1 ZINC000054825137 358876425 /nfs/dbraw/zinc/87/64/25/358876425.db2.gz HPRZIHAHZARWJJ-DMDPSCGWSA-N 1 2 215.300 2.424 10 30 BEEELO C[C@H]1C[C@](C#N)(N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000306254132 359465628 /nfs/dbraw/zinc/46/56/28/359465628.db2.gz UCAAAVBXTDLRPO-DZGCQCFKSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]1C[C@](C#N)(N(C)C)C[N@H+]1Cc1ccccc1 ZINC000306254132 359465633 /nfs/dbraw/zinc/46/56/33/359465633.db2.gz UCAAAVBXTDLRPO-DZGCQCFKSA-N 1 2 243.354 2.105 10 30 BEEELO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccccn1 ZINC000088169814 359939775 /nfs/dbraw/zinc/93/97/75/359939775.db2.gz HPRZIHAHZARWJJ-GMXVVIOVSA-N 1 2 215.300 2.424 10 30 BEEELO C[C@@H](CC#N)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874884 360091650 /nfs/dbraw/zinc/09/16/50/360091650.db2.gz NIIUARUVBAQQBR-AAEUAGOBSA-N 1 2 230.311 2.224 10 30 BEEELO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000090874884 360091654 /nfs/dbraw/zinc/09/16/54/360091654.db2.gz NIIUARUVBAQQBR-AAEUAGOBSA-N 1 2 230.311 2.224 10 30 BEEELO Cn1c[nH+]cc1CNc1ccc(F)cc1C#N ZINC000126259286 383847893 /nfs/dbraw/zinc/84/78/93/383847893.db2.gz JADGVFLEKFTMOC-UHFFFAOYSA-N 1 2 230.246 2.043 10 30 BEEELO CC[C@H](CCO)CNc1cc(C)[nH+]c(C)c1C#N ZINC000127356527 383878316 /nfs/dbraw/zinc/87/83/16/383878316.db2.gz VMFOJSQOCBYLAE-GFCCVEGCSA-N 1 2 247.342 2.391 10 30 BEEELO N#CCc1c[nH+]c2ccc(C(F)(F)F)cn12 ZINC000036291681 383894096 /nfs/dbraw/zinc/89/40/96/383894096.db2.gz QIIJITOKHNPMPQ-UHFFFAOYSA-N 1 2 225.173 2.419 10 30 BEEELO Cc1cc(NCC2(CCO)CC2)c(C#N)c(C)[nH+]1 ZINC000157235752 384285326 /nfs/dbraw/zinc/28/53/26/384285326.db2.gz YNKZMJYVXIYJJB-UHFFFAOYSA-N 1 2 245.326 2.145 10 30 BEEELO Cc1cc[nH+]cc1N[C@H]1CC[C@@H](C#N)C1 ZINC000335599757 384371218 /nfs/dbraw/zinc/37/12/18/384371218.db2.gz OQYJHVNYJCDREX-MNOVXSKESA-N 1 2 201.273 2.494 10 30 BEEELO C=CCN(CCO)c1cc(C(F)(F)F)cc[nH+]1 ZINC000157707187 385256324 /nfs/dbraw/zinc/25/63/24/385256324.db2.gz PMIBZNLGYFNFQC-UHFFFAOYSA-N 1 2 246.232 2.085 10 30 BEEELO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)o1 ZINC000054829798 385666531 /nfs/dbraw/zinc/66/65/31/385666531.db2.gz HZMNCQWJJZXZOV-JQWIXIFHSA-N 1 2 204.273 2.370 10 30 BEEELO C=C[C@H]([NH2+]C)c1ncsc1Br ZINC000575453709 388751815 /nfs/dbraw/zinc/75/18/15/388751815.db2.gz CRNZNNHHMODVNZ-YFKPBYRVSA-N 1 2 233.134 2.352 10 30 BEEELO Cc1ccc(C#N)c(N2CCn3cc[nH+]c3C2)c1 ZINC000062255492 132387677 /nfs/dbraw/zinc/38/76/77/132387677.db2.gz MMSHNQSHZXQHGO-UHFFFAOYSA-N 1 2 238.294 2.083 10 30 BEEELO C[C@@H](NCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649218 134330554 /nfs/dbraw/zinc/33/05/54/134330554.db2.gz GUQQGIVVSJRQQO-LLVKDONJSA-N 1 2 226.283 2.046 10 30 BEEELO CC[C@@H]([NH2+][C@H](C)CC#N)c1nccs1 ZINC000070634248 135000714 /nfs/dbraw/zinc/00/07/14/135000714.db2.gz XYSLRFUJXPQOGB-RKDXNWHRSA-N 1 2 209.318 2.486 10 30 BEEELO C#CC[NH2+][C@@](CC)(C[C@H](C)CC)C(=O)OCC ZINC000051965304 166189938 /nfs/dbraw/zinc/18/99/38/166189938.db2.gz VVHMRMBLDPVXSE-OCCSQVGLSA-N 1 2 239.359 2.357 10 30 BEEELO C#CC[NH2+][C@](CC)(C[C@H](C)CC)C(=O)OCC ZINC000051965307 166192717 /nfs/dbraw/zinc/19/27/17/166192717.db2.gz VVHMRMBLDPVXSE-TZMCWYRMSA-N 1 2 239.359 2.357 10 30 BEEELO CC[NH2+][C@](C)(C#N)CCn1ncc2ccccc21 ZINC000050527883 170169732 /nfs/dbraw/zinc/16/97/32/170169732.db2.gz LQROVYQOKIOPJH-AWEZNQCLSA-N 1 2 242.326 2.318 10 30 BEEELO CCNc1ncccc1C[N@H+](C)C[C@@H](C)C#N ZINC000052725096 170178503 /nfs/dbraw/zinc/17/85/03/170178503.db2.gz AMFAZQKJDXMSMW-NSHDSACASA-N 1 2 232.331 2.105 10 30 BEEELO CCNc1ncccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000052725096 170178505 /nfs/dbraw/zinc/17/85/05/170178505.db2.gz AMFAZQKJDXMSMW-NSHDSACASA-N 1 2 232.331 2.105 10 30 BEEELO COc1ccc2[nH]c(CCS)[nH+]c2c1 ZINC000071743311 175228362 /nfs/dbraw/zinc/22/83/62/175228362.db2.gz LOAPMRMERJZRNN-UHFFFAOYSA-N 1 2 208.286 2.044 10 30 BEEELO COc1ccccc1CC[NH2+][C@H](C#N)C(C)C ZINC000057520967 175323782 /nfs/dbraw/zinc/32/37/82/175323782.db2.gz OQHFIPUPZRXKER-CYBMUJFWSA-N 1 2 232.327 2.375 10 30 BEEELO C[C@@H]1CC(C)(C)C[C@](C#N)([NH2+]CCCO)C1 ZINC000053708785 176052509 /nfs/dbraw/zinc/05/25/09/176052509.db2.gz KXLCVYGJLKIMRG-DGCLKSJQSA-N 1 2 224.348 2.067 10 30 BEEELO C[C@H]1CC(C)(C)C[C@@](C#N)([NH2+]CCCO)C1 ZINC000053708782 177063802 /nfs/dbraw/zinc/06/38/02/177063802.db2.gz KXLCVYGJLKIMRG-AAEUAGOBSA-N 1 2 224.348 2.067 10 30 BEEELO CO[C@@H]1CCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593560 487481440 /nfs/dbraw/zinc/48/14/40/487481440.db2.gz WECWYBXHTZIXPV-GFCCVEGCSA-N 1 2 245.326 2.185 10 30 BEEELO C[C@H](SCc1ccc(Cl)o1)[C@@H]([NH3+])C#N ZINC000757165633 582547132 /nfs/dbraw/zinc/54/71/32/582547132.db2.gz MLBJRMUULFMRCZ-XPUUQOCRSA-N 1 2 230.720 2.406 10 30 BEEELO Cc1ccoc1CSCC[C@@H]([NH3+])C#N ZINC000757166921 582546888 /nfs/dbraw/zinc/54/68/88/582546888.db2.gz SYPQQVGONILZJL-SECBINFHSA-N 1 2 210.302 2.062 10 30 BEEELO CCc1ccc(CS[C@@H](C)[C@H]([NH3+])C#N)o1 ZINC000757163953 582546105 /nfs/dbraw/zinc/54/61/05/582546105.db2.gz FYSOKNMDDOIWQK-GZMMTYOYSA-N 1 2 224.329 2.315 10 30 BEEELO C[C@@H](SCc1ccc(Cl)o1)[C@H]([NH3+])C#N ZINC000757165604 582547035 /nfs/dbraw/zinc/54/70/35/582547035.db2.gz MLBJRMUULFMRCZ-HTRCEHHLSA-N 1 2 230.720 2.406 10 30 BEEELO