smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(F)c1 ZINC000301730987 201163686 /nfs/dbraw/zinc/16/36/86/201163686.db2.gz SJAPRFUHKSXRFM-UHFFFAOYSA-N 1 2 298.296 3.367 10 30 CGEELO Cc1cc(NCc2ccc(Cl)nc2)c(C#N)c(C)[nH+]1 ZINC000301771325 201186603 /nfs/dbraw/zinc/18/66/03/201186603.db2.gz JGEGBTNHRZDNKX-UHFFFAOYSA-N 1 2 272.739 3.231 10 30 CGEELO COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892711 369612059 /nfs/dbraw/zinc/61/20/59/369612059.db2.gz YWVZUZCMRAPZHO-MFKMUULPSA-N 1 2 264.756 3.130 10 30 CGEELO Cc1cc(N2CCC3(CCCC3)C2)c(C#N)c(C)[nH+]1 ZINC000160755089 278707984 /nfs/dbraw/zinc/70/79/84/278707984.db2.gz GIPLLWVUHHSGKH-UHFFFAOYSA-N 1 2 255.365 3.341 10 30 CGEELO COCc1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000156838996 523059138 /nfs/dbraw/zinc/05/91/38/523059138.db2.gz SNAIKKWSPDTAJM-UHFFFAOYSA-N 1 2 281.359 3.329 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000061891373 369610958 /nfs/dbraw/zinc/61/09/58/369610958.db2.gz PSKCHBMLOXZOKU-ZANVPECISA-N 1 2 252.720 3.261 10 30 CGEELO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1OC(F)F ZINC000061891926 369611184 /nfs/dbraw/zinc/61/11/84/369611184.db2.gz HYAWJGJPGOLDSM-ZYHUDNBSSA-N 1 2 296.317 3.078 10 30 CGEELO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117945347 370602744 /nfs/dbraw/zinc/60/27/44/370602744.db2.gz BQDBJKBMZUIYJQ-CYBMUJFWSA-N 1 2 271.389 3.281 10 30 CGEELO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117945347 370602748 /nfs/dbraw/zinc/60/27/48/370602748.db2.gz BQDBJKBMZUIYJQ-CYBMUJFWSA-N 1 2 271.389 3.281 10 30 CGEELO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000118396163 370613296 /nfs/dbraw/zinc/61/32/96/370613296.db2.gz OPOZRNKNWXNJCT-WFASDCNBSA-N 1 2 299.399 3.149 10 30 CGEELO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000118396163 370613300 /nfs/dbraw/zinc/61/33/00/370613300.db2.gz OPOZRNKNWXNJCT-WFASDCNBSA-N 1 2 299.399 3.149 10 30 CGEELO Cc1cc(NCCc2cccs2)c(C#N)c(C)[nH+]1 ZINC000133751380 371277034 /nfs/dbraw/zinc/27/70/34/371277034.db2.gz NIMVXUHCXVOMPO-UHFFFAOYSA-N 1 2 257.362 3.286 10 30 CGEELO C[C@@H]1COC[C@H](C)[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288535 373672142 /nfs/dbraw/zinc/67/21/42/373672142.db2.gz WXNJZHKIJBGGKU-BETUJISGSA-N 1 2 297.320 3.166 10 30 CGEELO C[C@@H]1COC[C@H](C)[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288535 373672152 /nfs/dbraw/zinc/67/21/52/373672152.db2.gz WXNJZHKIJBGGKU-BETUJISGSA-N 1 2 297.320 3.166 10 30 CGEELO Cc1cc(NCCCCOC(C)C)c(C#N)c(C)[nH+]1 ZINC000228562618 376442955 /nfs/dbraw/zinc/44/29/55/376442955.db2.gz CNJHNGOEGOILGS-UHFFFAOYSA-N 1 2 261.369 3.187 10 30 CGEELO C[C@H]1CSC(Nc2ccc(OC(F)F)cc2)=[NH+]1 ZINC000035295257 172107307 /nfs/dbraw/zinc/10/73/07/172107307.db2.gz YLUFCWRBPSRETF-ZETCQYMHSA-N 1 2 258.293 3.000 10 30 CGEELO CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020342 523347217 /nfs/dbraw/zinc/34/72/17/523347217.db2.gz IGUNXRBVVYGDNS-BPUTZDHNSA-N 1 2 258.365 3.141 10 30 CGEELO CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020342 523347224 /nfs/dbraw/zinc/34/72/24/523347224.db2.gz IGUNXRBVVYGDNS-BPUTZDHNSA-N 1 2 258.365 3.141 10 30 CGEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)o1 ZINC000230226309 346320587 /nfs/dbraw/zinc/32/05/87/346320587.db2.gz CGVTZRCBDZKNEK-GFCCVEGCSA-N 1 2 255.321 3.014 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000230686427 346321487 /nfs/dbraw/zinc/32/14/87/346321487.db2.gz KCEGLTYHCVKMTQ-TVQRCGJNSA-N 1 2 297.171 3.370 10 30 CGEELO CC(C)n1cc[nH+]c1C[S@](=O)CCCC(C)(C)C#N ZINC000176894452 373639232 /nfs/dbraw/zinc/63/92/32/373639232.db2.gz ANWHJZIXXXEXCU-LJQANCHMSA-N 1 2 281.425 3.043 10 30 CGEELO CC(C)n1cc[nH+]c1CSc1cc(C#N)ccn1 ZINC000195517443 376110319 /nfs/dbraw/zinc/11/03/19/376110319.db2.gz QVDFVUALPPGSLD-UHFFFAOYSA-N 1 2 258.350 3.023 10 30 CGEELO CS[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593964 376401810 /nfs/dbraw/zinc/40/18/10/376401810.db2.gz SLRVRJPIPOXALH-NEPJUHHUSA-N 1 2 261.394 3.266 10 30 CGEELO Cc1cc(NC2Cc3ccccc3C2)c(C#N)c(C)[nH+]1 ZINC000231039092 376553988 /nfs/dbraw/zinc/55/39/88/376553988.db2.gz MZQJRULQKSTPOC-UHFFFAOYSA-N 1 2 263.344 3.149 10 30 CGEELO N#C[C@]1([NH+]2CCCCCC2)CCc2ccccc2C1 ZINC000038086299 174097547 /nfs/dbraw/zinc/09/75/47/174097547.db2.gz SFFDDYQGPSWVPS-KRWDZBQOSA-N 1 2 254.377 3.314 10 30 CGEELO C=CCN(CC=C)C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040231700 174210580 /nfs/dbraw/zinc/21/05/80/174210580.db2.gz GISIXHQCWQDFOD-UHFFFAOYSA-N 1 2 295.386 3.114 10 30 CGEELO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(F)cc1C#N)C2 ZINC000266337141 278075992 /nfs/dbraw/zinc/07/59/92/278075992.db2.gz HSMDZGLLLLJCBW-UHFFFAOYSA-N 1 2 298.365 3.117 10 30 CGEELO CN1CCOc2ccc([NH2+][C@H]3CCC[C@@H](C#N)C3)cc21 ZINC000249052797 329904115 /nfs/dbraw/zinc/90/41/15/329904115.db2.gz XXERXXAHNHMLLV-OLZOCXBDSA-N 1 2 271.364 3.009 10 30 CGEELO COc1ccc(CN(C)c2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000156557414 524010761 /nfs/dbraw/zinc/01/07/61/524010761.db2.gz LOPXCCPDAZRMPB-UHFFFAOYSA-N 1 2 281.359 3.215 10 30 CGEELO Cc1cc(N(C)Cc2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000156556403 525029513 /nfs/dbraw/zinc/02/95/13/525029513.db2.gz OVANJBMMGVCNNU-UHFFFAOYSA-N 1 2 269.323 3.346 10 30 CGEELO Cc1cc(NC[C@]2(C)CCCS2)c(C#N)c(C)[nH+]1 ZINC000157464615 525276683 /nfs/dbraw/zinc/27/66/83/525276683.db2.gz OLUMXFOSIQGNGF-AWEZNQCLSA-N 1 2 261.394 3.268 10 30 CGEELO N[NH+]=C(Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000052945634 526816435 /nfs/dbraw/zinc/81/64/35/526816435.db2.gz SCDRGRYGPMCCBM-UHFFFAOYSA-N 1 2 259.740 3.267 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000230686431 346321352 /nfs/dbraw/zinc/32/13/52/346321352.db2.gz KCEGLTYHCVKMTQ-NOZJJQNGSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000597196493 347550677 /nfs/dbraw/zinc/55/06/77/347550677.db2.gz DNYHVNCNJGWJNS-NWDGAFQWSA-N 1 2 275.421 3.194 10 30 CGEELO COc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1OC ZINC000133747814 187704693 /nfs/dbraw/zinc/70/46/93/187704693.db2.gz RDSIAVHZIPMAQC-UHFFFAOYSA-N 1 2 283.331 3.331 10 30 CGEELO N#Cc1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171364819 372743655 /nfs/dbraw/zinc/74/36/55/372743655.db2.gz VENFLRMDOGWGMM-CQSZACIVSA-N 1 2 296.349 3.031 10 30 CGEELO N#Cc1cccc(Cn2cc[nH+]c2-c2ccccc2)c1 ZINC000040228383 174208545 /nfs/dbraw/zinc/20/85/45/174208545.db2.gz DTCZRKYMVGANQG-UHFFFAOYSA-N 1 2 259.312 3.470 10 30 CGEELO C[NH+]=Cc1c(=S)n(-c2ccccc2)[nH]c1C(C)C ZINC000261491613 328138635 /nfs/dbraw/zinc/13/86/35/328138635.db2.gz DSMWYDSSQLQMSA-OQLLNIDSSA-N 1 2 259.378 3.333 10 30 CGEELO Cc1cc(NCC2(O)CCCCCC2)c(C#N)c(C)[nH+]1 ZINC000157494580 525267492 /nfs/dbraw/zinc/26/74/92/525267492.db2.gz XLFWWWNWSSMTSA-UHFFFAOYSA-N 1 2 273.380 3.067 10 30 CGEELO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)c(C#N)c(C)[nH+]1 ZINC000156837304 525279250 /nfs/dbraw/zinc/27/92/50/525279250.db2.gz CBUBPQMMEXBNMI-UHFFFAOYSA-N 1 2 282.303 3.090 10 30 CGEELO Cc1ccc(/C=[NH+]/[C@@H](CO)Cc2ccccc2)cc1 ZINC000003623342 344858663 /nfs/dbraw/zinc/85/86/63/344858663.db2.gz DMNGGVDWAASFPT-YPOUMIDOSA-N 1 2 253.345 3.018 10 30 CGEELO C=C(Cl)CNc1[nH+]ccc(C)c1Br ZINC000235788412 346336989 /nfs/dbraw/zinc/33/69/89/346336989.db2.gz PEGWDNOXHBFLMO-UHFFFAOYSA-N 1 2 261.550 3.317 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000600145994 347784718 /nfs/dbraw/zinc/78/47/18/347784718.db2.gz SYFNBERYELXXKI-PRHODGIISA-N 1 2 270.710 3.400 10 30 CGEELO C[C@@H]1C[NH+]=C(Nc2cccc(Br)c2)S1 ZINC000035083667 368995855 /nfs/dbraw/zinc/99/58/55/368995855.db2.gz GPYPFYKIZKZAAG-SSDOTTSWSA-N 1 2 271.183 3.162 10 30 CGEELO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127510673 370952709 /nfs/dbraw/zinc/95/27/09/370952709.db2.gz DIMDGQUZVAXVEU-AWEZNQCLSA-N 1 2 283.350 3.358 10 30 CGEELO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127510673 370952717 /nfs/dbraw/zinc/95/27/17/370952717.db2.gz DIMDGQUZVAXVEU-AWEZNQCLSA-N 1 2 283.350 3.358 10 30 CGEELO Cc1cc(N[C@@H](C)c2cccc(O)c2)c(C#N)c(C)[nH+]1 ZINC000160632718 372264123 /nfs/dbraw/zinc/26/41/23/372264123.db2.gz ALEFWLNLLGEVPD-NSHDSACASA-N 1 2 267.332 3.449 10 30 CGEELO N#Cc1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000171364814 372743015 /nfs/dbraw/zinc/74/30/15/372743015.db2.gz VENFLRMDOGWGMM-AWEZNQCLSA-N 1 2 296.349 3.031 10 30 CGEELO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000186954560 374943873 /nfs/dbraw/zinc/94/38/73/374943873.db2.gz LNJYFESTGJEBPU-JTQLQIEISA-N 1 2 266.797 3.149 10 30 CGEELO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC000186954560 374943882 /nfs/dbraw/zinc/94/38/82/374943882.db2.gz LNJYFESTGJEBPU-JTQLQIEISA-N 1 2 266.797 3.149 10 30 CGEELO C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CC ZINC000040219724 174207032 /nfs/dbraw/zinc/20/70/32/174207032.db2.gz NNLSAVHHVCLSRF-UHFFFAOYSA-N 1 2 299.418 3.461 10 30 CGEELO [NH3+][C@H](/C=N/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044830782 295326803 /nfs/dbraw/zinc/32/68/03/295326803.db2.gz DIQCUSJNWHOORW-AVNKHNIGSA-N 1 2 286.175 3.184 10 30 CGEELO C=C(C)CN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000181287725 329229625 /nfs/dbraw/zinc/22/96/25/329229625.db2.gz SQVDEHRRPSNNED-CQSZACIVSA-N 1 2 298.390 3.151 10 30 CGEELO Cc1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000157399483 524441657 /nfs/dbraw/zinc/44/16/57/524441657.db2.gz SXVYQUBRUFLGTQ-UHFFFAOYSA-N 1 2 251.333 3.491 10 30 CGEELO Clc1cccc(C#CC[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000157988053 572415687 /nfs/dbraw/zinc/41/56/87/572415687.db2.gz JSMKRJQOYXDBPP-UHFFFAOYSA-N 1 2 299.805 3.294 10 30 CGEELO CC(C)(C)[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C#N)C1 ZINC000034442518 344939605 /nfs/dbraw/zinc/93/96/05/344939605.db2.gz LSMMKNSKGIKZEZ-ZWNOBZJWSA-N 1 2 264.319 3.302 10 30 CGEELO CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C#N)C1 ZINC000034442518 344939607 /nfs/dbraw/zinc/93/96/07/344939607.db2.gz LSMMKNSKGIKZEZ-ZWNOBZJWSA-N 1 2 264.319 3.302 10 30 CGEELO Cc1cc(NCCc2ccsc2)c(C#N)c(C)[nH+]1 ZINC000127346368 187298613 /nfs/dbraw/zinc/29/86/13/187298613.db2.gz UHDADJWAARCATH-UHFFFAOYSA-N 1 2 257.362 3.286 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000597196497 347550979 /nfs/dbraw/zinc/55/09/79/347550979.db2.gz DNYHVNCNJGWJNS-VXGBXAGGSA-N 1 2 275.421 3.194 10 30 CGEELO N#Cc1ccc2[nH]c(-c3ccccc3-c3[nH]cc[nH+]3)nc2c1 ZINC000090567725 180006753 /nfs/dbraw/zinc/00/67/53/180006753.db2.gz RDNCOYGFPNTZBD-UHFFFAOYSA-N 1 2 285.310 3.492 10 30 CGEELO COCCOc1cccc(Nc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301800360 201206503 /nfs/dbraw/zinc/20/65/03/201206503.db2.gz VQOHINQDMYYATM-UHFFFAOYSA-N 1 2 297.358 3.339 10 30 CGEELO N#C[C@@H](CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000031622632 368915554 /nfs/dbraw/zinc/91/55/54/368915554.db2.gz WHKRMZWZYJGMCN-MRXNPFEDSA-N 1 2 280.371 3.169 10 30 CGEELO CC(=[NH+]Nc1ccccc1[N+](=O)[O-])c1ccc(N)cc1 ZINC000035004803 368988021 /nfs/dbraw/zinc/98/80/21/368988021.db2.gz XBMOUFVOGXLWIM-YBEGLDIGSA-N 1 2 270.292 3.013 10 30 CGEELO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(Cl)c1OC ZINC000110823284 370389185 /nfs/dbraw/zinc/38/91/85/370389185.db2.gz ZSBJIACNFHMPOS-CMPLNLGQSA-N 1 2 294.782 3.139 10 30 CGEELO CCn1cc[nH+]c1CSc1nc2c(cc1C#N)CCCC2 ZINC000195517305 376109974 /nfs/dbraw/zinc/10/99/74/376109974.db2.gz KXITUQXXOHSXAN-UHFFFAOYSA-N 1 2 298.415 3.341 10 30 CGEELO C=C[C@@](C)(CC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000135043868 392469475 /nfs/dbraw/zinc/46/94/75/392469475.db2.gz MNKCCEMHGLWZBH-KRWDZBQOSA-N 1 2 289.423 3.031 10 30 CGEELO Cc1cc(N2CC[C@H](C)C[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301773011 301341629 /nfs/dbraw/zinc/34/16/29/301341629.db2.gz MDCASZKWACGPJY-RYUDHWBXSA-N 1 2 257.381 3.443 10 30 CGEELO CC[NH2+][C@@](C)(C#N)CCCOc1cc(F)cc(F)c1 ZINC000054933810 520128969 /nfs/dbraw/zinc/12/89/69/520128969.db2.gz YAVRJXPHRIPHBG-CQSZACIVSA-N 1 2 268.307 3.016 10 30 CGEELO C=CC[NH+](CC=C)C(C)(C)c1ncc(Br)cn1 ZINC000584629121 346698493 /nfs/dbraw/zinc/69/84/93/346698493.db2.gz CYMLMMNENPTXDT-UHFFFAOYSA-N 1 2 296.212 3.148 10 30 CGEELO COc1ccc(Cl)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061892713 369612299 /nfs/dbraw/zinc/61/22/99/369612299.db2.gz YWVZUZCMRAPZHO-GWCFXTLKSA-N 1 2 264.756 3.130 10 30 CGEELO O/N=C(\c1ccccc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000089202482 370039049 /nfs/dbraw/zinc/03/90/49/370039049.db2.gz WGKIWFCGZYPLQF-XDJHFCHBSA-N 1 2 263.300 3.303 10 30 CGEELO ON=C(c1ccccc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000089202482 370039050 /nfs/dbraw/zinc/03/90/50/370039050.db2.gz WGKIWFCGZYPLQF-XDJHFCHBSA-N 1 2 263.300 3.303 10 30 CGEELO Cc1cc(N2CCc3sccc3C2)c(C#N)c(C)[nH+]1 ZINC000156541196 392547744 /nfs/dbraw/zinc/54/77/44/392547744.db2.gz ULYWPDHABUHXDH-UHFFFAOYSA-N 1 2 269.373 3.194 10 30 CGEELO C[C@@H]1CSC(Nc2ccc(OC(F)F)cc2)=[NH+]1 ZINC000035295256 172107262 /nfs/dbraw/zinc/10/72/62/172107262.db2.gz YLUFCWRBPSRETF-SSDOTTSWSA-N 1 2 258.293 3.000 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000131751171 329640024 /nfs/dbraw/zinc/64/00/24/329640024.db2.gz UPRNOCOWIFLXKV-ZANVPECISA-N 1 2 252.720 3.261 10 30 CGEELO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(C(C)C)n1C ZINC000195116422 336046198 /nfs/dbraw/zinc/04/61/98/336046198.db2.gz UYSUDNIDLZLQAH-UHFFFAOYSA-N 1 2 298.434 3.169 10 30 CGEELO C=CC[N@H+](CCc1ccccc1)Cc1nnc(C(C)C)n1C ZINC000195116422 336046199 /nfs/dbraw/zinc/04/61/99/336046199.db2.gz UYSUDNIDLZLQAH-UHFFFAOYSA-N 1 2 298.434 3.169 10 30 CGEELO Cc1cc(NCc2nc3ccccc3n2C)c(C#N)c(C)[nH+]1 ZINC000301771318 201186644 /nfs/dbraw/zinc/18/66/44/201186644.db2.gz JFMHEMZYBONZMS-UHFFFAOYSA-N 1 2 291.358 3.069 10 30 CGEELO COc1ccccc1CN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000133749886 371277304 /nfs/dbraw/zinc/27/73/04/371277304.db2.gz SKOYCZRZDNWUKH-UHFFFAOYSA-N 1 2 281.359 3.215 10 30 CGEELO COc1cc(Nc2cc(C)[nH+]c(C)c2C#N)ccc1F ZINC000160368177 372241004 /nfs/dbraw/zinc/24/10/04/372241004.db2.gz NFBBTKVRAFLZMH-UHFFFAOYSA-N 1 2 271.295 3.461 10 30 CGEELO CC(C)n1cc[nH+]c1C[S@@](=O)CCCC(C)(C)C#N ZINC000176894434 373638298 /nfs/dbraw/zinc/63/82/98/373638298.db2.gz ANWHJZIXXXEXCU-IBGZPJMESA-N 1 2 281.425 3.043 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cc(F)ccc1F ZINC000252440433 377622419 /nfs/dbraw/zinc/62/24/19/377622419.db2.gz HFUSOIQUHGGTPN-BHDSKKPTSA-N 1 2 250.292 3.308 10 30 CGEELO COc1ccc(NC2=[NH+]C[C@@H](C)S2)cc1Cl ZINC000035294421 172106073 /nfs/dbraw/zinc/10/60/73/172106073.db2.gz YQRAKTFPLBAXKT-SSDOTTSWSA-N 1 2 256.758 3.061 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cccc(Cl)c2C)c1N ZINC000040701490 174378906 /nfs/dbraw/zinc/37/89/06/174378906.db2.gz HLLQGQOCRCAOLM-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2cccc(Cl)c2C)c1N ZINC000040701490 174378907 /nfs/dbraw/zinc/37/89/07/174378907.db2.gz HLLQGQOCRCAOLM-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO Cc1cc(N2CCc3ccccc3C2)c(C#N)c(C)[nH+]1 ZINC000133746724 280581076 /nfs/dbraw/zinc/58/10/76/280581076.db2.gz FRBRUMIILFLWLH-UHFFFAOYSA-N 1 2 263.344 3.133 10 30 CGEELO Cc1cc(N(C)CCc2cccs2)c(C#N)c(C)[nH+]1 ZINC000157459663 525027369 /nfs/dbraw/zinc/02/73/69/525027369.db2.gz FNDSGVVBSZXXOR-UHFFFAOYSA-N 1 2 271.389 3.311 10 30 CGEELO Cc1cc(N(C)Cc2cccc(C#N)c2)c(C#N)c(C)[nH+]1 ZINC000156577118 525028129 /nfs/dbraw/zinc/02/81/29/525028129.db2.gz IXFWDOUTRPIGGQ-UHFFFAOYSA-N 1 2 276.343 3.078 10 30 CGEELO CC#CCC[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331547 188198882 /nfs/dbraw/zinc/19/88/82/188198882.db2.gz AVVMRCVNEWTSSY-ZDUSSCGKSA-N 1 2 292.448 3.227 10 30 CGEELO CC#CCC[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331547 188198884 /nfs/dbraw/zinc/19/88/84/188198884.db2.gz AVVMRCVNEWTSSY-ZDUSSCGKSA-N 1 2 292.448 3.227 10 30 CGEELO O=[N+]([O-])c1cc(/C=N/NC2=[NH+]CCCCC2)ccc1Cl ZINC000003225178 368497635 /nfs/dbraw/zinc/49/76/35/368497635.db2.gz PSTYGYDSRAVWMW-CXUHLZMHSA-N 1 2 294.742 3.144 10 30 CGEELO CCn1cc[nH+]c1CNc1ccc(Cl)c(C#N)c1 ZINC000051921992 369458126 /nfs/dbraw/zinc/45/81/26/369458126.db2.gz QWIKGYDPDBFYIJ-UHFFFAOYSA-N 1 2 260.728 3.040 10 30 CGEELO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000160408863 372244031 /nfs/dbraw/zinc/24/40/31/372244031.db2.gz IQSCUSFAUFBYCB-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000160408863 372244038 /nfs/dbraw/zinc/24/40/38/372244038.db2.gz IQSCUSFAUFBYCB-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO C=C(C)C[C@@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000185545485 374684982 /nfs/dbraw/zinc/68/49/82/374684982.db2.gz MJFVKZWYXCYQTR-CYBMUJFWSA-N 1 2 289.423 3.031 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000347697304 378725435 /nfs/dbraw/zinc/72/54/35/378725435.db2.gz COABHIRUEWFDRJ-TVQRCGJNSA-N 1 2 297.171 3.370 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(C)c(C)c2)c1N ZINC000040702690 174378774 /nfs/dbraw/zinc/37/87/74/174378774.db2.gz ASWCASLIMXRUEC-UHFFFAOYSA-N 1 2 269.352 3.017 10 30 CGEELO CCCC[C@@H](CC)COCC[C@@H](C#N)[NH2+]C(C)C ZINC000062442299 521035656 /nfs/dbraw/zinc/03/56/56/521035656.db2.gz YXKPKQPUKMLOOI-CABCVRRESA-N 1 2 254.418 3.500 10 30 CGEELO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061892709 369610856 /nfs/dbraw/zinc/61/08/56/369610856.db2.gz UOLWAXLOARUULA-KBPBESRZSA-N 1 2 282.391 3.228 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000061891160 369611278 /nfs/dbraw/zinc/61/12/78/369611278.db2.gz KNJQUTIPKVPEIZ-CMPLNLGQSA-N 1 2 284.281 3.367 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575663 370027692 /nfs/dbraw/zinc/02/76/92/370027692.db2.gz SDUXRKOUIUHURD-WCBMZHEXSA-N 1 2 285.210 3.292 10 30 CGEELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cs1 ZINC000189931043 375459955 /nfs/dbraw/zinc/45/99/55/375459955.db2.gz HVOCQMBMXLZFAV-AWEZNQCLSA-N 1 2 273.361 3.253 10 30 CGEELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cs1 ZINC000189931043 375459959 /nfs/dbraw/zinc/45/99/59/375459959.db2.gz HVOCQMBMXLZFAV-AWEZNQCLSA-N 1 2 273.361 3.253 10 30 CGEELO CS[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593961 376401281 /nfs/dbraw/zinc/40/12/81/376401281.db2.gz SLRVRJPIPOXALH-VXGBXAGGSA-N 1 2 261.394 3.266 10 30 CGEELO C=CCNc1[nH+]cnc(N(CC)c2cccc(C)c2)c1N ZINC000040661727 174366108 /nfs/dbraw/zinc/36/61/08/174366108.db2.gz OPOOQTQRDYNYLI-UHFFFAOYSA-N 1 2 283.379 3.123 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000382668218 327878669 /nfs/dbraw/zinc/87/86/69/327878669.db2.gz VHWCBTHPCNOEQE-CABZTGNLSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1sccc1Br ZINC000087575661 326992884 /nfs/dbraw/zinc/99/28/84/326992884.db2.gz SDUXRKOUIUHURD-PSASIEDQSA-N 1 2 285.210 3.292 10 30 CGEELO C=CCN(CC=C)c1[nH+]c(N2CCCC2)nc2[nH]c(C)cc21 ZINC000223926994 622868361 /nfs/dbraw/zinc/86/83/61/622868361.db2.gz REWMMAWKTABOLD-UHFFFAOYSA-N 1 2 297.406 3.045 10 30 CGEELO Cc1cc(N(C)C[C@@H]2CC=CCC2)c(C#N)c(C)[nH+]1 ZINC000302124681 201352446 /nfs/dbraw/zinc/35/24/46/201352446.db2.gz FJJWREDMWLLIFH-CQSZACIVSA-N 1 2 255.365 3.363 10 30 CGEELO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000046437947 369293935 /nfs/dbraw/zinc/29/39/35/369293935.db2.gz JRFDGTMUIOSWNH-OAHLLOKOSA-N 1 2 265.360 3.219 10 30 CGEELO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000046437947 369293941 /nfs/dbraw/zinc/29/39/41/369293941.db2.gz JRFDGTMUIOSWNH-OAHLLOKOSA-N 1 2 265.360 3.219 10 30 CGEELO COCc1ccccc1CNc1cc(C)[nH+]c(C)c1C#N ZINC000133754164 371277854 /nfs/dbraw/zinc/27/78/54/371277854.db2.gz KDWFZZNWISFYGG-UHFFFAOYSA-N 1 2 281.359 3.329 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2cccc(Cl)c2)c1N ZINC000040708985 174380603 /nfs/dbraw/zinc/38/06/03/174380603.db2.gz GTRFRNZVZPFUQU-UHFFFAOYSA-N 1 2 275.743 3.054 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cccc(Cl)c2)c1N ZINC000040708985 174380605 /nfs/dbraw/zinc/38/06/05/174380605.db2.gz GTRFRNZVZPFUQU-UHFFFAOYSA-N 1 2 275.743 3.054 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(F)c(Cl)c2)c1N ZINC000040709101 174380852 /nfs/dbraw/zinc/38/08/52/174380852.db2.gz DSXMRZAPYUOEDM-UHFFFAOYSA-N 1 2 293.733 3.193 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040709101 174380853 /nfs/dbraw/zinc/38/08/53/174380853.db2.gz DSXMRZAPYUOEDM-UHFFFAOYSA-N 1 2 293.733 3.193 10 30 CGEELO C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000330150384 228050839 /nfs/dbraw/zinc/05/08/39/228050839.db2.gz NCDGKSQSULRLGM-SWLSCSKDSA-N 1 2 299.374 3.348 10 30 CGEELO Cc1[nH+]cccc1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000091495961 260266574 /nfs/dbraw/zinc/26/65/74/260266574.db2.gz JEGICEHKEZQJAC-LBPRGKRZSA-N 1 2 267.332 3.466 10 30 CGEELO Cc1cc(N[C@H](C)c2ccccc2C)c(C#N)c[nH+]1 ZINC000399559437 267301786 /nfs/dbraw/zinc/30/17/86/267301786.db2.gz GCLSKDIWMHNBHX-CYBMUJFWSA-N 1 2 251.333 3.165 10 30 CGEELO Cc1cc(N2CCc3c(F)ccc(F)c3C2)c(C#N)c(C)[nH+]1 ZINC000301788496 280580149 /nfs/dbraw/zinc/58/01/49/280580149.db2.gz PUOISVKSGZGUSU-UHFFFAOYSA-N 1 2 299.324 3.411 10 30 CGEELO Cc1cc(NCc2ccccc2[N+](=O)[O-])c(C#N)c(C)[nH+]1 ZINC000156840511 525279594 /nfs/dbraw/zinc/27/95/94/525279594.db2.gz MBTJFCYIUCUABZ-UHFFFAOYSA-N 1 2 282.303 3.090 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000388493067 346570110 /nfs/dbraw/zinc/57/01/10/346570110.db2.gz IKTZKLVGUGCLLR-SCZZXKLOSA-N 1 2 285.210 3.292 10 30 CGEELO COc1ccc(NC2=[NH+]C(C)(C)CS2)cc1Cl ZINC000035294425 172106094 /nfs/dbraw/zinc/10/60/94/172106094.db2.gz RUTVRKQQWGTLLN-UHFFFAOYSA-N 1 2 270.785 3.451 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000160818499 262301281 /nfs/dbraw/zinc/30/12/81/262301281.db2.gz JWDBPJCTUPRICJ-RNCFNFMXSA-N 1 2 252.720 3.261 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1c(F)cccc1F ZINC000061891180 329681477 /nfs/dbraw/zinc/68/14/77/329681477.db2.gz MQPBVANVKGCZMM-CWSCBRNRSA-N 1 2 250.292 3.308 10 30 CGEELO COc1cc(Nc2cc(C)[nH+]c(C)c2C#N)cc(OC)c1 ZINC000156548424 522766289 /nfs/dbraw/zinc/76/62/89/522766289.db2.gz BUWOMWHGDBDNQQ-UHFFFAOYSA-N 1 2 283.331 3.331 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829053 526511876 /nfs/dbraw/zinc/51/18/76/526511876.db2.gz WPLGIWBOMKTRNY-QMTHXVAHSA-N 1 2 250.292 3.137 10 30 CGEELO Cc1cc(N2CCS[C@@H](C(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301803784 373805274 /nfs/dbraw/zinc/80/52/74/373805274.db2.gz XDXJJFUHSWOEMM-OAHLLOKOSA-N 1 2 275.421 3.148 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000346965147 378699801 /nfs/dbraw/zinc/69/98/01/378699801.db2.gz ICLQHKDFNCMVCL-SMDDNHRTSA-N 1 2 291.192 3.305 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000346965147 378699805 /nfs/dbraw/zinc/69/98/05/378699805.db2.gz ICLQHKDFNCMVCL-SMDDNHRTSA-N 1 2 291.192 3.305 10 30 CGEELO Cc1csc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)n1 ZINC000174838903 392647058 /nfs/dbraw/zinc/64/70/58/392647058.db2.gz WDYPCWFKNRVOBZ-CYBMUJFWSA-N 1 2 293.436 3.155 10 30 CGEELO Cc1csc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)n1 ZINC000174838903 392647067 /nfs/dbraw/zinc/64/70/67/392647067.db2.gz WDYPCWFKNRVOBZ-CYBMUJFWSA-N 1 2 293.436 3.155 10 30 CGEELO CCCCN=C1NC(=[NH+]CCCC)c2ccccc21 ZINC000039477893 174169010 /nfs/dbraw/zinc/16/90/10/174169010.db2.gz FTQSGCGCEMYYKY-UHFFFAOYSA-N 1 2 257.381 3.383 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000054826262 369506960 /nfs/dbraw/zinc/50/69/60/369506960.db2.gz LAPZOYOZRBYJQM-RNCFNFMXSA-N 1 2 297.171 3.370 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(C)cc2C)c1N ZINC000040708907 174380174 /nfs/dbraw/zinc/38/01/74/174380174.db2.gz QQXQOJIMGLHDLC-UHFFFAOYSA-N 1 2 269.352 3.017 10 30 CGEELO CC(C)(C)c1nc(C[NH2+][C@@H]2CCC[C@H]2C#N)cs1 ZINC000164288838 263270671 /nfs/dbraw/zinc/27/06/71/263270671.db2.gz UPRNPNHRWJRSFL-CMPLNLGQSA-N 1 2 263.410 3.222 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394748631 327959027 /nfs/dbraw/zinc/95/90/27/327959027.db2.gz ZLEDPRFNOBWQLA-CABZTGNLSA-N 1 2 297.171 3.370 10 30 CGEELO CCCCCCCCC[N@@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000192045614 640346499 /nfs/dbraw/zinc/34/64/99/640346499.db2.gz IHIBEIJSKLMCNK-OAHLLOKOSA-N 1 2 294.443 3.237 10 30 CGEELO CCCCCCCCC[N@H+]1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000192045614 640346508 /nfs/dbraw/zinc/34/65/08/640346508.db2.gz IHIBEIJSKLMCNK-OAHLLOKOSA-N 1 2 294.443 3.237 10 30 CGEELO C[C@](C#N)(CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000031622923 344927671 /nfs/dbraw/zinc/92/76/71/344927671.db2.gz GAHYKZLSBRYVAW-LJQANCHMSA-N 1 2 294.398 3.343 10 30 CGEELO Cc1cc(N2CCC(C(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000227593945 136478675 /nfs/dbraw/zinc/47/86/75/136478675.db2.gz PMZPTFBZNSEZHL-UHFFFAOYSA-N 1 2 257.381 3.443 10 30 CGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000111405612 345949390 /nfs/dbraw/zinc/94/93/90/345949390.db2.gz VSOVIUBCUYJXSF-IINYFYTJSA-N 1 2 250.292 3.137 10 30 CGEELO CC(C)c1nc(C[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000595691992 347339084 /nfs/dbraw/zinc/33/90/84/347339084.db2.gz KYAOUAGHAVLQRN-AAEUAGOBSA-N 1 2 263.410 3.438 10 30 CGEELO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901882 138353193 /nfs/dbraw/zinc/35/31/93/138353193.db2.gz DRWRIFSZHWDXPR-KRWDZBQOSA-N 1 2 298.365 3.039 10 30 CGEELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901882 138353194 /nfs/dbraw/zinc/35/31/94/138353194.db2.gz DRWRIFSZHWDXPR-KRWDZBQOSA-N 1 2 298.365 3.039 10 30 CGEELO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483730 370502871 /nfs/dbraw/zinc/50/28/71/370502871.db2.gz CADULLUCLDDOHB-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483730 370502873 /nfs/dbraw/zinc/50/28/73/370502873.db2.gz CADULLUCLDDOHB-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO Cc1[nH]cc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)[nH+]1 ZINC000071551764 176196397 /nfs/dbraw/zinc/19/63/97/176196397.db2.gz WTSKDYPFOXVZLN-UHFFFAOYSA-N 1 2 289.342 3.209 10 30 CGEELO C=CCCCCNc1nc(NC)c(Br)c[nH+]1 ZINC000302505002 261352736 /nfs/dbraw/zinc/35/27/36/261352736.db2.gz DMXROKZWYLNUJA-UHFFFAOYSA-N 1 2 285.189 3.049 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000061891371 329681785 /nfs/dbraw/zinc/68/17/85/329681785.db2.gz PSKCHBMLOXZOKU-RNCFNFMXSA-N 1 2 252.720 3.261 10 30 CGEELO CCC[NH2+][C@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445481 520059854 /nfs/dbraw/zinc/05/98/54/520059854.db2.gz LLMVZXLVDWYPAW-HNNXBMFYSA-N 1 2 260.381 3.471 10 30 CGEELO C[N@H+](C[C@@H]1CCCCO1)[C@@H](CC#N)c1ccccc1 ZINC000055020360 523034216 /nfs/dbraw/zinc/03/42/16/523034216.db2.gz XEZAOUNEHZVXFL-HOTGVXAUSA-N 1 2 258.365 3.142 10 30 CGEELO C[N@@H+](C[C@@H]1CCCCO1)[C@@H](CC#N)c1ccccc1 ZINC000055020360 523034226 /nfs/dbraw/zinc/03/42/26/523034226.db2.gz XEZAOUNEHZVXFL-HOTGVXAUSA-N 1 2 258.365 3.142 10 30 CGEELO CCCCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220606868 637682584 /nfs/dbraw/zinc/68/25/84/637682584.db2.gz QSBCBMVHUYSBTK-AWEZNQCLSA-N 1 2 291.439 3.300 10 30 CGEELO CCCCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220606868 637682587 /nfs/dbraw/zinc/68/25/87/637682587.db2.gz QSBCBMVHUYSBTK-AWEZNQCLSA-N 1 2 291.439 3.300 10 30 CGEELO N#C[C@@]1(Nc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000037935210 344953986 /nfs/dbraw/zinc/95/39/86/344953986.db2.gz PGANTQUISGXZES-SFHVURJKSA-N 1 2 277.371 3.267 10 30 CGEELO N#C[C@@]1(Nc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000037935210 344953988 /nfs/dbraw/zinc/95/39/88/344953988.db2.gz PGANTQUISGXZES-SFHVURJKSA-N 1 2 277.371 3.267 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000111405609 345949599 /nfs/dbraw/zinc/94/95/99/345949599.db2.gz VSOVIUBCUYJXSF-QMTHXVAHSA-N 1 2 250.292 3.137 10 30 CGEELO N#C[C@H]([NH3+])CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000584626771 346697820 /nfs/dbraw/zinc/69/78/20/346697820.db2.gz JXXNLLGUVSWZNH-CYBMUJFWSA-N 1 2 266.266 3.276 10 30 CGEELO CC#CCC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331659 188199450 /nfs/dbraw/zinc/19/94/50/188199450.db2.gz AVVMRCVNEWTSSY-CYBMUJFWSA-N 1 2 292.448 3.227 10 30 CGEELO CC#CCC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000155331659 188199451 /nfs/dbraw/zinc/19/94/51/188199451.db2.gz AVVMRCVNEWTSSY-CYBMUJFWSA-N 1 2 292.448 3.227 10 30 CGEELO C=CCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946615 188876337 /nfs/dbraw/zinc/87/63/37/188876337.db2.gz UFLZPNPVGDXPBR-CYBMUJFWSA-N 1 2 269.348 3.016 10 30 CGEELO Cc1cc(N2CC[C@@H](C)C[C@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301773009 201187639 /nfs/dbraw/zinc/18/76/39/201187639.db2.gz MDCASZKWACGPJY-NEPJUHHUSA-N 1 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WXNJZHKIJBGGKU-CHWSQXEVSA-N 1 2 297.320 3.166 10 30 CGEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599364703 347739508 /nfs/dbraw/zinc/73/95/08/347739508.db2.gz ZSVPNKGKNXVLTR-GFCCVEGCSA-N 1 2 255.321 3.014 10 30 CGEELO N#CCC1(C[N@@H+]2CCCC[C@@H]2c2nccs2)CC1 ZINC000602768766 348025202 /nfs/dbraw/zinc/02/52/02/348025202.db2.gz ALQABJBCLUSQMQ-GFCCVEGCSA-N 1 2 261.394 3.364 10 30 CGEELO N#CCC1(C[N@H+]2CCCC[C@@H]2c2nccs2)CC1 ZINC000602768766 348025205 /nfs/dbraw/zinc/02/52/05/348025205.db2.gz ALQABJBCLUSQMQ-GFCCVEGCSA-N 1 2 261.394 3.364 10 30 CGEELO CO[C@H](CNc1cc(C)[nH+]c(C)c1C#N)c1ccccc1 ZINC000301753772 201177601 /nfs/dbraw/zinc/17/76/01/201177601.db2.gz BZPXRBMFNOYZCB-QGZVFWFLSA-N 1 2 281.359 3.370 10 30 CGEELO N#Cc1cc(Cl)ccc1NCc1cn2c([nH+]1)CCCC2 ZINC000069630348 369766070 /nfs/dbraw/zinc/76/60/70/369766070.db2.gz FLRZSXKXZIQDEX-UHFFFAOYSA-N 1 2 286.766 3.357 10 30 CGEELO C=C[C@](C)(CC)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000135043852 392470121 /nfs/dbraw/zinc/47/01/21/392470121.db2.gz MNKCCEMHGLWZBH-QGZVFWFLSA-N 1 2 289.423 3.031 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cc(C)ccc2C)c1N ZINC000040704373 174378955 /nfs/dbraw/zinc/37/89/55/174378955.db2.gz KGOZNHLJFOKIPO-UHFFFAOYSA-N 1 2 269.352 3.017 10 30 CGEELO Cc1cc(N(C)Cc2ccccc2F)c(C#N)c(C)[nH+]1 ZINC000156556260 525030024 /nfs/dbraw/zinc/03/00/24/525030024.db2.gz AJCYAGPKFILBCH-UHFFFAOYSA-N 1 2 269.323 3.346 10 30 CGEELO Cc1cc(NCc2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000156538661 525279475 /nfs/dbraw/zinc/27/94/75/525279475.db2.gz MBCPEEXJCYPSIM-UHFFFAOYSA-N 1 2 255.296 3.321 10 30 CGEELO CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182740557 619039765 /nfs/dbraw/zinc/03/97/65/619039765.db2.gz LDTVULREYWZMIK-ZDUSSCGKSA-N 1 2 250.390 3.302 10 30 CGEELO CCCCCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182740557 619039767 /nfs/dbraw/zinc/03/97/67/619039767.db2.gz LDTVULREYWZMIK-ZDUSSCGKSA-N 1 2 250.390 3.302 10 30 CGEELO Cc1cc(NCCOCCC(C)C)c(C#N)c(C)[nH+]1 ZINC000127348303 187298143 /nfs/dbraw/zinc/29/81/43/187298143.db2.gz UGPYMZQBQNULPW-UHFFFAOYSA-N 1 2 261.369 3.045 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000230686423 346321051 /nfs/dbraw/zinc/32/10/51/346321051.db2.gz KCEGLTYHCVKMTQ-RNCFNFMXSA-N 1 2 297.171 3.370 10 30 CGEELO N#Cc1cccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616639974 348853412 /nfs/dbraw/zinc/85/34/12/348853412.db2.gz UPPBXCMFMKWYHD-SFHVURJKSA-N 1 2 278.355 3.132 10 30 CGEELO N#Cc1cccc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616639974 348853416 /nfs/dbraw/zinc/85/34/16/348853416.db2.gz UPPBXCMFMKWYHD-SFHVURJKSA-N 1 2 278.355 3.132 10 30 CGEELO Cc1cc(N[C@@H](C)c2ccc3c(c2)OCO3)c(C#N)c(C)[nH+]1 ZINC000301778534 201192648 /nfs/dbraw/zinc/19/26/48/201192648.db2.gz MDVZXKQLHIEGQQ-NSHDSACASA-N 1 2 295.342 3.472 10 30 CGEELO Cc1csc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000157108698 372006798 /nfs/dbraw/zinc/00/67/98/372006798.db2.gz PFBAVSQFTGGFBB-CYBMUJFWSA-N 1 2 288.420 3.074 10 30 CGEELO Cc1cc(NCCc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000211092251 376132267 /nfs/dbraw/zinc/13/22/67/376132267.db2.gz GDYPMZVDUHRDII-UHFFFAOYSA-N 1 2 251.333 3.225 10 30 CGEELO CCn1cc[nH+]c1CSCc1ccc(F)cc1C#N ZINC000083633365 249007073 /nfs/dbraw/zinc/00/70/73/249007073.db2.gz QLHOBNATVGHJFM-UHFFFAOYSA-N 1 2 275.352 3.347 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cscc1Br ZINC000308799759 261658920 /nfs/dbraw/zinc/65/89/20/261658920.db2.gz AAGZWYHWOIQGDA-KCJUWKMLSA-N 1 2 285.210 3.292 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000168914230 329062035 /nfs/dbraw/zinc/06/20/35/329062035.db2.gz PIPPKFCHGMNCIP-CABZTGNLSA-N 1 2 252.720 3.261 10 30 CGEELO CCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185900915 333151404 /nfs/dbraw/zinc/15/14/04/333151404.db2.gz RHIDJTZOKIXKPV-IHRRRGAJSA-N 1 2 280.412 3.169 10 30 CGEELO Cc1cc(N(C)Cc2ccsc2)c(C#N)c(C)[nH+]1 ZINC000127343682 187298237 /nfs/dbraw/zinc/29/82/37/187298237.db2.gz MFUWSOODESYXSC-UHFFFAOYSA-N 1 2 257.362 3.268 10 30 CGEELO CC(=CC(N)(C(F)(F)F)C(F)(F)F)[NH2+]C(C)C ZINC000100086637 345910818 /nfs/dbraw/zinc/91/08/18/345910818.db2.gz GZWNEFVEOHHCJR-FMQZQXMHSA-N 1 2 264.213 3.068 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000597196491 347550484 /nfs/dbraw/zinc/55/04/84/347550484.db2.gz DNYHVNCNJGWJNS-NEPJUHHUSA-N 1 2 275.421 3.194 10 30 CGEELO CC#CC[N@@H+]1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000328606714 374370622 /nfs/dbraw/zinc/37/06/22/374370622.db2.gz SNUIPTHWQATOIR-HNNXBMFYSA-N 1 2 299.349 3.426 10 30 CGEELO CC#CC[N@H+]1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000328606714 374370629 /nfs/dbraw/zinc/37/06/29/374370629.db2.gz SNUIPTHWQATOIR-HNNXBMFYSA-N 1 2 299.349 3.426 10 30 CGEELO N#C[C@@H]([NH3+])CCOc1ccc(Oc2ccccc2)cc1 ZINC000019666773 170834307 /nfs/dbraw/zinc/83/43/07/170834307.db2.gz CRVLYQJMRRNLIG-ZDUSSCGKSA-N 1 2 268.316 3.099 10 30 CGEELO Brc1cccc(NC2=[NH+]CCCS2)c1 ZINC000020360771 171159632 /nfs/dbraw/zinc/15/96/32/171159632.db2.gz GCCLCTHPVUTCGV-UHFFFAOYSA-N 1 2 271.183 3.163 10 30 CGEELO CN(C)c1ccc([C@@H](C#N)[NH+]2CCCCCC2)cc1 ZINC000038086162 174097039 /nfs/dbraw/zinc/09/70/39/174097039.db2.gz CNCANWQBAHXRHC-MRXNPFEDSA-N 1 2 257.381 3.193 10 30 CGEELO Cc1cc(N[C@H]2CCCc3ccccc32)c(C#N)c[nH+]1 ZINC000399373378 267301842 /nfs/dbraw/zinc/30/18/42/267301842.db2.gz ANUPZEPNHIJDRU-INIZCTEOSA-N 1 2 263.344 3.173 10 30 CGEELO C[C@@H](C#N)N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000182173274 329240368 /nfs/dbraw/zinc/24/03/68/329240368.db2.gz LIPPZMDWTMILTI-ZFWWWQNUSA-N 1 2 280.375 3.168 10 30 CGEELO C[C@H](C#N)N1CCC[C@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000182173299 329240383 /nfs/dbraw/zinc/24/03/83/329240383.db2.gz LIPPZMDWTMILTI-HIFRSBDPSA-N 1 2 280.375 3.168 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127660659 187324504 /nfs/dbraw/zinc/32/45/04/187324504.db2.gz GOFKEMQWABIOEA-CYBMUJFWSA-N 1 2 273.361 3.335 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)o1 ZINC000127660659 187324506 /nfs/dbraw/zinc/32/45/06/187324506.db2.gz GOFKEMQWABIOEA-CYBMUJFWSA-N 1 2 273.361 3.335 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000595695059 347339433 /nfs/dbraw/zinc/33/94/33/347339433.db2.gz RQCDGFJMQCTNTK-DGCLKSJQSA-N 1 2 261.394 3.192 10 30 CGEELO ON=C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000034973252 368984952 /nfs/dbraw/zinc/98/49/52/368984952.db2.gz VUEPPWDSBSSTTJ-UHFFFAOYSA-N 1 2 273.163 3.419 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000061891161 369610702 /nfs/dbraw/zinc/61/07/02/369610702.db2.gz KNJQUTIPKVPEIZ-JQWIXIFHSA-N 1 2 284.281 3.367 10 30 CGEELO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000154484699 371850050 /nfs/dbraw/zinc/85/00/50/371850050.db2.gz RJYCCWFGERXWLS-GUTXKFCHSA-N 1 2 261.365 3.091 10 30 CGEELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000329913730 374440521 /nfs/dbraw/zinc/44/05/21/374440521.db2.gz CASPNJGUZUSLHR-HIFRSBDPSA-N 1 2 296.374 3.117 10 30 CGEELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000329913732 374441095 /nfs/dbraw/zinc/44/10/95/374441095.db2.gz CASPNJGUZUSLHR-ZFWWWQNUSA-N 1 2 296.374 3.117 10 30 CGEELO Cc1[nH+]c2ccccc2n1CC(=O)c1ccc(C#N)cc1 ZINC000035224850 172069348 /nfs/dbraw/zinc/06/93/48/172069348.db2.gz WGHDAMSIROUXLK-UHFFFAOYSA-N 1 2 275.311 3.099 10 30 CGEELO COc1ccc(NC2=[NH+][C@@H](C)CS2)cc1Cl ZINC000035294420 172105829 /nfs/dbraw/zinc/10/58/29/172105829.db2.gz KXWDBPWUHQFNSZ-ZETCQYMHSA-N 1 2 256.758 3.061 10 30 CGEELO CC[C@@H](C)[NH2+][C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064544 174075411 /nfs/dbraw/zinc/07/54/11/174075411.db2.gz MBVDUMWCVQBGMT-CZUORRHYSA-N 1 2 260.381 3.298 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(Cl)cc2C)c1N ZINC000040703127 174378910 /nfs/dbraw/zinc/37/89/10/174378910.db2.gz LKQXDLNUVJXYNV-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703127 174378911 /nfs/dbraw/zinc/37/89/11/174378911.db2.gz LKQXDLNUVJXYNV-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO C=C(C)CN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000181287709 329229449 /nfs/dbraw/zinc/22/94/49/329229449.db2.gz SQVDEHRRPSNNED-AWEZNQCLSA-N 1 2 298.390 3.151 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1cc(F)ccc1F ZINC000061891280 329681624 /nfs/dbraw/zinc/68/16/24/329681624.db2.gz HFUSOIQUHGGTPN-RBZYPMLTSA-N 1 2 250.292 3.308 10 30 CGEELO C[C@@H]1C[NH+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000177225747 333055325 /nfs/dbraw/zinc/05/53/25/333055325.db2.gz FIRDXPVFHREDJP-CHWSQXEVSA-N 1 2 297.320 3.166 10 30 CGEELO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000250101057 333302343 /nfs/dbraw/zinc/30/23/43/333302343.db2.gz RJYCCWFGERXWLS-GZBFAFLISA-N 1 2 261.365 3.091 10 30 CGEELO N#Cc1ncccc1C[N@H+](Cc1ccsc1)C1CC1 ZINC000061664412 526790216 /nfs/dbraw/zinc/79/02/16/526790216.db2.gz ZCECUELIASCPRZ-UHFFFAOYSA-N 1 2 269.373 3.179 10 30 CGEELO N#Cc1ncccc1C[N@@H+](Cc1ccsc1)C1CC1 ZINC000061664412 526790220 /nfs/dbraw/zinc/79/02/20/526790220.db2.gz ZCECUELIASCPRZ-UHFFFAOYSA-N 1 2 269.373 3.179 10 30 CGEELO 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N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484219 370502977 /nfs/dbraw/zinc/50/29/77/370502977.db2.gz DYPIGKJKZVATLS-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484219 370502979 /nfs/dbraw/zinc/50/29/79/370502979.db2.gz DYPIGKJKZVATLS-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000333631090 228207482 /nfs/dbraw/zinc/20/74/82/228207482.db2.gz QYMGBXGMJUPGAJ-YPMHNXCESA-N 1 2 287.388 3.493 10 30 CGEELO CCCC[C@H](CC)COCC[C@H](C#N)[NH2+]C(C)C ZINC000062442308 521181076 /nfs/dbraw/zinc/18/10/76/521181076.db2.gz YXKPKQPUKMLOOI-LSDHHAIUSA-N 1 2 254.418 3.500 10 30 CGEELO Cc1ccc(Br)cc1NC1=[NH+]CCS1 ZINC000037368806 344949957 /nfs/dbraw/zinc/94/99/57/344949957.db2.gz ZYPFGRUEXAUPKZ-UHFFFAOYSA-N 1 2 271.183 3.081 10 30 CGEELO C=CC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176861469 189011666 /nfs/dbraw/zinc/01/16/66/189011666.db2.gz ZORYILJFZMNWHG-ZIAGYGMSSA-N 1 2 298.390 3.197 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000054826351 369507989 /nfs/dbraw/zinc/50/79/89/369507989.db2.gz CCSWOHIQXMGTCK-GXFFZTMASA-N 1 2 279.181 3.231 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1F ZINC000061891214 369611206 /nfs/dbraw/zinc/61/12/06/369611206.db2.gz WQZQYVLKLZFARL-RBZYPMLTSA-N 1 2 250.292 3.308 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404539 370559784 /nfs/dbraw/zinc/55/97/84/370559784.db2.gz BIUVIFDUZNEBFC-SNVBAGLBSA-N 1 2 256.143 3.325 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116404539 370559789 /nfs/dbraw/zinc/55/97/89/370559789.db2.gz BIUVIFDUZNEBFC-SNVBAGLBSA-N 1 2 256.143 3.325 10 30 CGEELO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000154484921 371850258 /nfs/dbraw/zinc/85/02/58/371850258.db2.gz RJYCCWFGERXWLS-YDHLFZDLSA-N 1 2 261.365 3.091 10 30 CGEELO Cc1ccc([C@@H](O)CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000160486185 372252416 /nfs/dbraw/zinc/25/24/16/372252416.db2.gz NXFMUPNGPAQJOY-KRWDZBQOSA-N 1 2 281.359 3.024 10 30 CGEELO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1cc(F)ccc1F ZINC000252440434 377621828 /nfs/dbraw/zinc/62/18/28/377621828.db2.gz HFUSOIQUHGGTPN-PKFCDNJMSA-N 1 2 250.292 3.308 10 30 CGEELO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246393779 131093167 /nfs/dbraw/zinc/09/31/67/131093167.db2.gz OPOZRNKNWXNJCT-SWLSCSKDSA-N 1 2 299.399 3.149 10 30 CGEELO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246393779 131093169 /nfs/dbraw/zinc/09/31/69/131093169.db2.gz OPOZRNKNWXNJCT-SWLSCSKDSA-N 1 2 299.399 3.149 10 30 CGEELO CC[C@H](C)c1ccccc1OCCC/C(N)=[NH+]/O ZINC000019425210 170794592 /nfs/dbraw/zinc/79/45/92/170794592.db2.gz PRFUQDFZOQUHQM-NSHDSACASA-N 1 2 250.342 3.106 10 30 CGEELO C[C@H]([NH2+]CCC#N)c1ccccc1Br ZINC000020199624 262232687 /nfs/dbraw/zinc/23/26/87/262232687.db2.gz YHFJXNYEJSUNDJ-VIFPVBQESA-N 1 2 253.143 3.013 10 30 CGEELO C#CCC(C)(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185718157 518244578 /nfs/dbraw/zinc/24/45/78/518244578.db2.gz LMXVAYBHPAALLL-CQSZACIVSA-N 1 2 295.386 3.099 10 30 CGEELO CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182740539 625027956 /nfs/dbraw/zinc/02/79/56/625027956.db2.gz LDTVULREYWZMIK-CYBMUJFWSA-N 1 2 250.390 3.302 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000378972852 346554272 /nfs/dbraw/zinc/55/42/72/346554272.db2.gz KJJKLJNBAVWZBL-MWLCHTKSSA-N 1 2 283.169 3.214 10 30 CGEELO N#C[C@@H]([NH3+])CC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000584626772 346697868 /nfs/dbraw/zinc/69/78/68/346697868.db2.gz JXXNLLGUVSWZNH-ZDUSSCGKSA-N 1 2 266.266 3.276 10 30 CGEELO CC(C)c1nc(C[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000595691997 347338631 /nfs/dbraw/zinc/33/86/31/347338631.db2.gz KYAOUAGHAVLQRN-YPMHNXCESA-N 1 2 263.410 3.438 10 30 CGEELO Cc1csc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000157108560 372005982 /nfs/dbraw/zinc/00/59/82/372005982.db2.gz PFBAVSQFTGGFBB-ZDUSSCGKSA-N 1 2 288.420 3.074 10 30 CGEELO CSC1(CNc2cc(C)[nH+]c(C)c2C#N)CCC1 ZINC000227985821 376421568 /nfs/dbraw/zinc/42/15/68/376421568.db2.gz HGKROWRZQQFWOH-UHFFFAOYSA-N 1 2 261.394 3.268 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cc(C)cc(C)c2)c1N ZINC000040681776 174375330 /nfs/dbraw/zinc/37/53/30/174375330.db2.gz BBCSNQTVZSKQPW-UHFFFAOYSA-N 1 2 269.352 3.017 10 30 CGEELO CCC[NH2+][C@@H](C#N)CCOc1ccc(C(C)C)cc1 ZINC000062445482 519983714 /nfs/dbraw/zinc/98/37/14/519983714.db2.gz LLMVZXLVDWYPAW-OAHLLOKOSA-N 1 2 260.381 3.471 10 30 CGEELO C=CC[NH+](CC=C)CC(=O)c1cccc(Br)c1 ZINC000220841474 346296455 /nfs/dbraw/zinc/29/64/55/346296455.db2.gz QICQLGJMYWJDAP-UHFFFAOYSA-N 1 2 294.192 3.306 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000599466043 347747099 /nfs/dbraw/zinc/74/70/99/347747099.db2.gz YOQOJRCKJTZXNK-MFKMUULPSA-N 1 2 294.196 3.016 10 30 CGEELO Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)c(C#N)c(C)[nH+]1 ZINC000302076530 201333764 /nfs/dbraw/zinc/33/37/64/201333764.db2.gz WLAKAXQNULTNIH-CQSZACIVSA-N 1 2 273.380 3.328 10 30 CGEELO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000046437946 369294162 /nfs/dbraw/zinc/29/41/62/369294162.db2.gz JRFDGTMUIOSWNH-HNNXBMFYSA-N 1 2 265.360 3.219 10 30 CGEELO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000046437946 369294164 /nfs/dbraw/zinc/29/41/64/369294164.db2.gz JRFDGTMUIOSWNH-HNNXBMFYSA-N 1 2 265.360 3.219 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000054825898 369507410 /nfs/dbraw/zinc/50/74/10/369507410.db2.gz PDWONLPSMMCNDY-RNCFNFMXSA-N 1 2 297.171 3.370 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404542 370559716 /nfs/dbraw/zinc/55/97/16/370559716.db2.gz BIUVIFDUZNEBFC-JTQLQIEISA-N 1 2 256.143 3.325 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116404542 370559718 /nfs/dbraw/zinc/55/97/18/370559718.db2.gz BIUVIFDUZNEBFC-JTQLQIEISA-N 1 2 256.143 3.325 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000346965145 378699522 /nfs/dbraw/zinc/69/95/22/378699522.db2.gz ICLQHKDFNCMVCL-RISCZKNCSA-N 1 2 291.192 3.305 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000346965145 378699526 /nfs/dbraw/zinc/69/95/26/378699526.db2.gz ICLQHKDFNCMVCL-RISCZKNCSA-N 1 2 291.192 3.305 10 30 CGEELO CC[C@H](C)[NH2+][C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064545 174075130 /nfs/dbraw/zinc/07/51/30/174075130.db2.gz MBVDUMWCVQBGMT-XJKSGUPXSA-N 1 2 260.381 3.298 10 30 CGEELO COc1ccc(C[C@@](C)(C#N)[NH2+]C2CCCC2)cc1 ZINC000071169668 176050481 /nfs/dbraw/zinc/05/04/81/176050481.db2.gz HYJWCVBWABLSJI-INIZCTEOSA-N 1 2 258.365 3.052 10 30 CGEELO C[C@H](C#N)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192608592 329434744 /nfs/dbraw/zinc/43/47/44/329434744.db2.gz CUIARQIJOHYQEC-GFCCVEGCSA-N 1 2 253.349 3.259 10 30 CGEELO CO[C@@H](CNc1cc(C)[nH+]c(C)c1C#N)c1ccccc1 ZINC000301753770 201178510 /nfs/dbraw/zinc/17/85/10/201178510.db2.gz BZPXRBMFNOYZCB-KRWDZBQOSA-N 1 2 281.359 3.370 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000054825897 369507979 /nfs/dbraw/zinc/50/79/79/369507979.db2.gz PDWONLPSMMCNDY-NOZJJQNGSA-N 1 2 297.171 3.370 10 30 CGEELO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1OC(F)F ZINC000061891927 369611095 /nfs/dbraw/zinc/61/10/95/369611095.db2.gz HYAWJGJPGOLDSM-PWSUYJOCSA-N 1 2 296.317 3.078 10 30 CGEELO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483727 370503007 /nfs/dbraw/zinc/50/30/07/370503007.db2.gz CADULLUCLDDOHB-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114483727 370503010 /nfs/dbraw/zinc/50/30/10/370503010.db2.gz CADULLUCLDDOHB-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO Cc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025762 372100948 /nfs/dbraw/zinc/10/09/48/372100948.db2.gz DODHXTMNGKZGQJ-QGZVFWFLSA-N 1 2 282.343 3.033 10 30 CGEELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025762 372100953 /nfs/dbraw/zinc/10/09/53/372100953.db2.gz DODHXTMNGKZGQJ-QGZVFWFLSA-N 1 2 282.343 3.033 10 30 CGEELO Cc1ccc([C@H](O)CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000160486089 372252078 /nfs/dbraw/zinc/25/20/78/372252078.db2.gz NXFMUPNGPAQJOY-QGZVFWFLSA-N 1 2 281.359 3.024 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195442098 376103197 /nfs/dbraw/zinc/10/31/97/376103197.db2.gz WTKFQFGTJBHXAA-JTQLQIEISA-N 1 2 287.226 3.231 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195442098 376103203 /nfs/dbraw/zinc/10/32/03/376103203.db2.gz WTKFQFGTJBHXAA-JTQLQIEISA-N 1 2 287.226 3.231 10 30 CGEELO C=CCn1c2ccccc2[nH+]c1CCCCCNC(=O)C=C ZINC000040219566 174207057 /nfs/dbraw/zinc/20/70/57/174207057.db2.gz PSUYIOQRXQURQN-UHFFFAOYSA-N 1 2 297.402 3.237 10 30 CGEELO Cc1cc(Nc2ccc3c(c2)OCCO3)c(C#N)c(C)[nH+]1 ZINC000156550987 525308266 /nfs/dbraw/zinc/30/82/66/525308266.db2.gz ULIZPSYFVILLPH-UHFFFAOYSA-N 1 2 281.315 3.085 10 30 CGEELO Cc1cc([C@H](C)[NH2+]Cc2cccnc2C#N)c(C)o1 ZINC000061658578 525523781 /nfs/dbraw/zinc/52/37/81/525523781.db2.gz OUDHDBAVWBLIOW-NSHDSACASA-N 1 2 255.321 3.014 10 30 CGEELO N#Cc1ccc(-c2cc(NC3CCCC3)nc(N)[nH+]2)cc1F ZINC000115838534 345973629 /nfs/dbraw/zinc/97/36/29/345973629.db2.gz YJZAFTLBYHQTIZ-UHFFFAOYSA-N 1 2 297.337 3.091 10 30 CGEELO Cc1cc(N2CC[C@H](C)C[C@@H](C)C2)c(C#N)c(C)[nH+]1 ZINC000301773010 201187987 /nfs/dbraw/zinc/18/79/87/201187987.db2.gz MDCASZKWACGPJY-NWDGAFQWSA-N 1 2 257.381 3.443 10 30 CGEELO COc1cccc(OCCNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301794927 201202167 /nfs/dbraw/zinc/20/21/67/201202167.db2.gz SLLCUCZSYOLGRQ-UHFFFAOYSA-N 1 2 297.358 3.070 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000061891370 369611137 /nfs/dbraw/zinc/61/11/37/369611137.db2.gz PSKCHBMLOXZOKU-NOZJJQNGSA-N 1 2 252.720 3.261 10 30 CGEELO COc1ccc(CCNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000133747562 371277179 /nfs/dbraw/zinc/27/71/79/371277179.db2.gz GINGEWVCKKVTMG-UHFFFAOYSA-N 1 2 281.359 3.233 10 30 CGEELO Cc1ccc([C@H]2C[N@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000179512526 373882705 /nfs/dbraw/zinc/88/27/05/373882705.db2.gz IXNGGBBZJRZKFI-QGZVFWFLSA-N 1 2 282.343 3.033 10 30 CGEELO Cc1ccc([C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCO2)o1 ZINC000179512526 373882716 /nfs/dbraw/zinc/88/27/16/373882716.db2.gz IXNGGBBZJRZKFI-QGZVFWFLSA-N 1 2 282.343 3.033 10 30 CGEELO COc1cccc(CCNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000227592132 376401897 /nfs/dbraw/zinc/40/18/97/376401897.db2.gz OBZZDVHOMIEKET-UHFFFAOYSA-N 1 2 281.359 3.233 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894475 392600668 /nfs/dbraw/zinc/60/06/68/392600668.db2.gz AINIGKWPNVOHGP-HOTGVXAUSA-N 1 2 290.794 3.355 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894475 392600673 /nfs/dbraw/zinc/60/06/73/392600673.db2.gz AINIGKWPNVOHGP-HOTGVXAUSA-N 1 2 290.794 3.355 10 30 CGEELO CC(=[NH+]Nc1ccccc1[N+](=O)[O-])c1cccc(N)c1 ZINC000005260659 170081022 /nfs/dbraw/zinc/08/10/22/170081022.db2.gz VTQGHCYAHADMSQ-MHWRWJLKSA-N 1 2 270.292 3.013 10 30 CGEELO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000250101060 333302311 /nfs/dbraw/zinc/30/23/11/333302311.db2.gz RJYCCWFGERXWLS-KCQAQPDRSA-N 1 2 261.365 3.091 10 30 CGEELO Cc1cc(NC[C@@]2(C)CCCS2)c(C#N)c(C)[nH+]1 ZINC000157464764 525274702 /nfs/dbraw/zinc/27/47/02/525274702.db2.gz OLUMXFOSIQGNGF-CQSZACIVSA-N 1 2 261.394 3.268 10 30 CGEELO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2C#N)c(C)o1 ZINC000061658577 525469660 /nfs/dbraw/zinc/46/96/60/525469660.db2.gz OUDHDBAVWBLIOW-LLVKDONJSA-N 1 2 255.321 3.014 10 30 CGEELO CC[C@@H](C)[C@](C#N)(CC[NH+]1CCOCC1)c1ccccc1 ZINC000031554826 344926770 /nfs/dbraw/zinc/92/67/70/344926770.db2.gz KUSPAVYMGQSRFN-SJLPKXTDSA-N 1 2 286.419 3.216 10 30 CGEELO CCOC(=O)[C@](CCC#N)(c1ccccc1)[NH+](CC)CC ZINC000584595226 346686929 /nfs/dbraw/zinc/68/69/29/346686929.db2.gz AVVXBZXKOZTAMM-KRWDZBQOSA-N 1 2 288.391 3.091 10 30 CGEELO Cc1cc(NCCCOCc2ccco2)c(C#N)c(C)[nH+]1 ZINC000301773755 201188420 /nfs/dbraw/zinc/18/84/20/201188420.db2.gz KHEHURJEHIVIKP-UHFFFAOYSA-N 1 2 285.347 3.182 10 30 CGEELO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)ccc1F ZINC000120948219 370815617 /nfs/dbraw/zinc/81/56/17/370815617.db2.gz DVETYLVUHSVIDV-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)ccc1F ZINC000120948219 370815623 /nfs/dbraw/zinc/81/56/23/370815623.db2.gz DVETYLVUHSVIDV-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172068220 392617072 /nfs/dbraw/zinc/61/70/72/392617072.db2.gz ZQDADUNFZKSUJO-INIZCTEOSA-N 1 2 266.348 3.009 10 30 CGEELO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000172068220 392617077 /nfs/dbraw/zinc/61/70/77/392617077.db2.gz ZQDADUNFZKSUJO-INIZCTEOSA-N 1 2 266.348 3.009 10 30 CGEELO C=C(C)CN(C)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000302009436 397676268 /nfs/dbraw/zinc/67/62/68/397676268.db2.gz ADLAAQMDHBXKMF-UHFFFAOYSA-N 1 2 298.346 3.373 10 30 CGEELO COc1ccc(C[C@](C)(C#N)[NH2+]C2CCCC2)cc1 ZINC000071169667 176050662 /nfs/dbraw/zinc/05/06/62/176050662.db2.gz HYJWCVBWABLSJI-MRXNPFEDSA-N 1 2 258.365 3.052 10 30 CGEELO Cc1[nH+]cccc1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000091495962 260266384 /nfs/dbraw/zinc/26/63/84/260266384.db2.gz JEGICEHKEZQJAC-GFCCVEGCSA-N 1 2 267.332 3.466 10 30 CGEELO C[C@@H]([NH2+]CCC#N)c1ccccc1Br ZINC000020199623 262232621 /nfs/dbraw/zinc/23/26/21/262232621.db2.gz YHFJXNYEJSUNDJ-SECBINFHSA-N 1 2 253.143 3.013 10 30 CGEELO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1c(F)cccc1F ZINC000061891178 329681439 /nfs/dbraw/zinc/68/14/39/329681439.db2.gz MQPBVANVKGCZMM-OPQQBVKSSA-N 1 2 250.292 3.308 10 30 CGEELO Cc1cc(N2CCc3cc(F)ccc3C2)c(C#N)c(C)[nH+]1 ZINC000091674036 345819905 /nfs/dbraw/zinc/81/99/05/345819905.db2.gz ZRCMAHHNXVJOIM-UHFFFAOYSA-N 1 2 281.334 3.272 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000230686564 346321374 /nfs/dbraw/zinc/32/13/74/346321374.db2.gz BARULVJTHRAYIN-NOZJJQNGSA-N 1 2 252.720 3.261 10 30 CGEELO Cc1ncsc1C[N@@H+](C)[C@H]1CCCCC[C@@H]1C#N ZINC000104431814 186000822 /nfs/dbraw/zinc/00/08/22/186000822.db2.gz QGYODLUYGJJNNR-OLZOCXBDSA-N 1 2 263.410 3.356 10 30 CGEELO Cc1ncsc1C[N@H+](C)[C@H]1CCCCC[C@@H]1C#N ZINC000104431814 186000823 /nfs/dbraw/zinc/00/08/23/186000823.db2.gz QGYODLUYGJJNNR-OLZOCXBDSA-N 1 2 263.410 3.356 10 30 CGEELO C=CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176861422 189011906 /nfs/dbraw/zinc/01/19/06/189011906.db2.gz ZORYILJFZMNWHG-KBPBESRZSA-N 1 2 298.390 3.197 10 30 CGEELO CC[N@@H+](Cc1ccc2ccccc2n1)C[C@@H](C)C#N ZINC000042449661 369220873 /nfs/dbraw/zinc/22/08/73/369220873.db2.gz NZXYUVDHGNSCML-ZDUSSCGKSA-N 1 2 253.349 3.216 10 30 CGEELO CC[N@H+](Cc1ccc2ccccc2n1)C[C@@H](C)C#N ZINC000042449661 369220880 /nfs/dbraw/zinc/22/08/80/369220880.db2.gz NZXYUVDHGNSCML-ZDUSSCGKSA-N 1 2 253.349 3.216 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000054826349 369507074 /nfs/dbraw/zinc/50/70/74/369507074.db2.gz CCSWOHIQXMGTCK-ZWNOBZJWSA-N 1 2 279.181 3.231 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000131750756 371128609 /nfs/dbraw/zinc/12/86/09/371128609.db2.gz UPRNOCOWIFLXKV-RNCFNFMXSA-N 1 2 252.720 3.261 10 30 CGEELO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116767 372214879 /nfs/dbraw/zinc/21/48/79/372214879.db2.gz PICNPYSFGGRJAL-KRWDZBQOSA-N 1 2 298.365 3.039 10 30 CGEELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116767 372214886 /nfs/dbraw/zinc/21/48/86/372214886.db2.gz PICNPYSFGGRJAL-KRWDZBQOSA-N 1 2 298.365 3.039 10 30 CGEELO CS[C@H]1CCCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000160886969 372285950 /nfs/dbraw/zinc/28/59/50/372285950.db2.gz DDVYHAAQNDPHBZ-ZDUSSCGKSA-N 1 2 275.421 3.292 10 30 CGEELO Cc1cc(N2CC[C@@H](CC(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301791017 392598104 /nfs/dbraw/zinc/59/81/04/392598104.db2.gz QQEOQHCKKJZEMF-AWEZNQCLSA-N 1 2 257.381 3.443 10 30 CGEELO CC[C@@H]1CSC(Nc2ccc(OC)c(Cl)c2)=[NH+]1 ZINC000035294426 172105815 /nfs/dbraw/zinc/10/58/15/172105815.db2.gz XAJWHAISNAQPEQ-MRVPVSSYSA-N 1 2 270.785 3.451 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000160818619 262301367 /nfs/dbraw/zinc/30/13/67/262301367.db2.gz JWDBPJCTUPRICJ-TVQRCGJNSA-N 1 2 252.720 3.261 10 30 CGEELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020341 523508582 /nfs/dbraw/zinc/50/85/82/523508582.db2.gz IGUNXRBVVYGDNS-IMJJTQAJSA-N 1 2 258.365 3.141 10 30 CGEELO CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020341 523508588 /nfs/dbraw/zinc/50/85/88/523508588.db2.gz IGUNXRBVVYGDNS-IMJJTQAJSA-N 1 2 258.365 3.141 10 30 CGEELO Cc1ccc(/C=[NH+]/[C@H](CO)Cc2ccccc2)cc1 ZINC000003623340 344858505 /nfs/dbraw/zinc/85/85/05/344858505.db2.gz DMNGGVDWAASFPT-BOFQVRIASA-N 1 2 253.345 3.018 10 30 CGEELO CC[NH+](CC)C/C(=N/O)c1cccc2ccccc21 ZINC000148288947 346128236 /nfs/dbraw/zinc/12/82/36/346128236.db2.gz YJYUDOFPZGFNPU-MSUUIHNZSA-N 1 2 256.349 3.360 10 30 CGEELO COc1cc(F)cc(Nc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000301782857 201193885 /nfs/dbraw/zinc/19/38/85/201193885.db2.gz NQNDWRKOZMDWNN-UHFFFAOYSA-N 1 2 271.295 3.461 10 30 CGEELO Cc1cc(NCc2nc3c(cccc3C)[nH]2)c(C#N)c(C)[nH+]1 ZINC000301861632 201237265 /nfs/dbraw/zinc/23/72/65/201237265.db2.gz DUCDCTVKHOTLKT-UHFFFAOYSA-N 1 2 291.358 3.367 10 30 CGEELO COc1ccccc1CNc1cc(C)[nH+]c(C)c1C#N ZINC000133748619 371277680 /nfs/dbraw/zinc/27/76/80/371277680.db2.gz DYTDRSHYYQFHEP-UHFFFAOYSA-N 1 2 267.332 3.191 10 30 CGEELO CCn1cc[nH+]c1CSCc1ccc(OC)c(C#N)c1 ZINC000161699037 372347271 /nfs/dbraw/zinc/34/72/71/372347271.db2.gz UYNGXFOTBFVYNG-UHFFFAOYSA-N 1 2 287.388 3.217 10 30 CGEELO CCn1cc[nH+]c1CSCCOc1cccc(C#N)c1 ZINC000083632866 249007144 /nfs/dbraw/zinc/00/71/44/249007144.db2.gz MFUOTIMFWPRJGE-UHFFFAOYSA-N 1 2 287.388 3.087 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cccc(C)c2C)c1N ZINC000040708905 174380059 /nfs/dbraw/zinc/38/00/59/174380059.db2.gz UIQVMJRDUOBHBS-UHFFFAOYSA-N 1 2 269.352 3.017 10 30 CGEELO C#CCCCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000119927814 263278139 /nfs/dbraw/zinc/27/81/39/263278139.db2.gz WIRDBLLGUXNVFZ-OAHLLOKOSA-N 1 2 295.386 3.243 10 30 CGEELO C#CCCCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000119927692 263278704 /nfs/dbraw/zinc/27/87/04/263278704.db2.gz WIRDBLLGUXNVFZ-HNNXBMFYSA-N 1 2 295.386 3.243 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000168914057 329062031 /nfs/dbraw/zinc/06/20/31/329062031.db2.gz PIPPKFCHGMNCIP-SKDRFNHKSA-N 1 2 252.720 3.261 10 30 CGEELO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1c(F)cccc1F ZINC000251697014 329933306 /nfs/dbraw/zinc/93/33/06/329933306.db2.gz MQPBVANVKGCZMM-OUJBWJOFSA-N 1 2 250.292 3.308 10 30 CGEELO CCN(CC[C@H](C#N)[NH2+]C(C)C)c1ccc(C)cc1 ZINC000062438432 521157507 /nfs/dbraw/zinc/15/75/07/521157507.db2.gz GYPMAXMVDUDGJP-OAHLLOKOSA-N 1 2 259.397 3.102 10 30 CGEELO COc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000156535471 524712700 /nfs/dbraw/zinc/71/27/00/524712700.db2.gz KMNAGVFVQSHOKD-UHFFFAOYSA-N 1 2 253.305 3.322 10 30 CGEELO N#C[C@@]1(N2CCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000037355637 344949596 /nfs/dbraw/zinc/94/95/96/344949596.db2.gz MTDUYAOVCSHIKU-SFHVURJKSA-N 1 2 283.419 3.031 10 30 CGEELO N#C[C@@]1(N2CCCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000037355637 344949599 /nfs/dbraw/zinc/94/95/99/344949599.db2.gz MTDUYAOVCSHIKU-SFHVURJKSA-N 1 2 283.419 3.031 10 30 CGEELO CC(C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000595691994 347338715 /nfs/dbraw/zinc/33/87/15/347338715.db2.gz KYAOUAGHAVLQRN-DGCLKSJQSA-N 1 2 263.410 3.438 10 30 CGEELO COC[C@H](Cc1ccccc1)/[NH+]=C/c1ccccc1 ZINC000018129223 170743530 /nfs/dbraw/zinc/74/35/30/170743530.db2.gz SUBNLDMYESIJHW-NAVNFMRLSA-N 1 2 253.345 3.363 10 30 CGEELO N#CCOc1ccc([NH2+]CCc2ccccc2)cc1 ZINC000020126421 171010685 /nfs/dbraw/zinc/01/06/85/171010685.db2.gz ACGJOBXXZIVRGT-UHFFFAOYSA-N 1 2 252.317 3.244 10 30 CGEELO Cc1cc(N2CC3(CCCC3)OC(C)(C)C2)c(C#N)c(C)[nH+]1 ZINC000302629072 301331788 /nfs/dbraw/zinc/33/17/88/301331788.db2.gz GCCKYDUPKGBIFL-UHFFFAOYSA-N 1 2 299.418 3.498 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575662 326992993 /nfs/dbraw/zinc/99/29/93/326992993.db2.gz SDUXRKOUIUHURD-SCZZXKLOSA-N 1 2 285.210 3.292 10 30 CGEELO CC[NH2+][C@@H](C#N)CCSc1ccc2c(c1)CCC2 ZINC000062456219 520058465 /nfs/dbraw/zinc/05/84/65/520058465.db2.gz KFOVFWUNUJGBBB-CQSZACIVSA-N 1 2 260.406 3.159 10 30 CGEELO Cc1cc(N(C)CCc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000156587192 525025698 /nfs/dbraw/zinc/02/56/98/525025698.db2.gz HQDIGWMHBBGKNI-UHFFFAOYSA-N 1 2 265.360 3.249 10 30 CGEELO Cc1cc(NC[C@H]2Cc3ccccc32)c(C#N)c(C)[nH+]1 ZINC000156590550 525277718 /nfs/dbraw/zinc/27/77/18/525277718.db2.gz PBAFHRJVPBXLPU-CQSZACIVSA-N 1 2 263.344 3.322 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000378972853 346554455 /nfs/dbraw/zinc/55/44/55/346554455.db2.gz KJJKLJNBAVWZBL-ONGXEEELSA-N 1 2 283.169 3.214 10 30 CGEELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599364704 347740367 /nfs/dbraw/zinc/74/03/67/347740367.db2.gz ZSVPNKGKNXVLTR-LBPRGKRZSA-N 1 2 255.321 3.014 10 30 CGEELO CCc1nc(CNc2cc(C)[nH+]c(C)c2C#N)cs1 ZINC000301763369 201182022 /nfs/dbraw/zinc/18/20/22/201182022.db2.gz GMTYCTFWLGNKKU-UHFFFAOYSA-N 1 2 272.377 3.201 10 30 CGEELO N#C[C@H](CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000031622636 368915703 /nfs/dbraw/zinc/91/57/03/368915703.db2.gz WHKRMZWZYJGMCN-INIZCTEOSA-N 1 2 280.371 3.169 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000087575664 370027584 /nfs/dbraw/zinc/02/75/84/370027584.db2.gz SDUXRKOUIUHURD-WPRPVWTQSA-N 1 2 285.210 3.292 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195442102 376104323 /nfs/dbraw/zinc/10/43/23/376104323.db2.gz WTKFQFGTJBHXAA-SNVBAGLBSA-N 1 2 287.226 3.231 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195442102 376104326 /nfs/dbraw/zinc/10/43/26/376104326.db2.gz WTKFQFGTJBHXAA-SNVBAGLBSA-N 1 2 287.226 3.231 10 30 CGEELO C/C(c1cccs1)=[N+](/O)[C@@H](C)/C(=N/O)c1ccccc1 ZINC000575346619 377884974 /nfs/dbraw/zinc/88/49/74/377884974.db2.gz YFKXYUQRLDQFFJ-KPXASSSOSA-O 1 2 289.380 3.226 10 30 CGEELO Cc1cc(N2CC[C@H](CC(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301791018 392597891 /nfs/dbraw/zinc/59/78/91/392597891.db2.gz QQEOQHCKKJZEMF-CQSZACIVSA-N 1 2 257.381 3.443 10 30 CGEELO c1c[nH+]c(CC(=NNc2ccccc2)c2ccccc2)[nH]1 ZINC000005827881 170144522 /nfs/dbraw/zinc/14/45/22/170144522.db2.gz HFVSKXYROMFJSV-LTGZKZEYSA-N 1 2 276.343 3.469 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829060 526499315 /nfs/dbraw/zinc/49/93/15/526499315.db2.gz WPLGIWBOMKTRNY-HZMBPMFUSA-N 1 2 250.292 3.137 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000378972851 346554259 /nfs/dbraw/zinc/55/42/59/346554259.db2.gz KJJKLJNBAVWZBL-KOLCDFICSA-N 1 2 283.169 3.214 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000595695058 347339672 /nfs/dbraw/zinc/33/96/72/347339672.db2.gz RQCDGFJMQCTNTK-AAEUAGOBSA-N 1 2 261.394 3.192 10 30 CGEELO Cc1nc(C)c(CNc2cc(C)[nH+]c(C)c2C#N)s1 ZINC000301792528 201199084 /nfs/dbraw/zinc/19/90/84/201199084.db2.gz RHDSAOBKRKODCE-UHFFFAOYSA-N 1 2 272.377 3.256 10 30 CGEELO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000275523336 193066351 /nfs/dbraw/zinc/06/63/51/193066351.db2.gz LIHVWJFJGBXLPZ-MRXNPFEDSA-N 1 2 296.374 3.090 10 30 CGEELO CCc1cnc(CNc2cc(C)[nH+]c(C)c2C#N)s1 ZINC000160751882 372273937 /nfs/dbraw/zinc/27/39/37/372273937.db2.gz JAZKZJWZOAOVBU-UHFFFAOYSA-N 1 2 272.377 3.201 10 30 CGEELO C=CCN(CC=C)C(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040231375 174209741 /nfs/dbraw/zinc/20/97/41/174209741.db2.gz YHWWETAIZAKUIR-UHFFFAOYSA-N 1 2 297.402 3.360 10 30 CGEELO COc1ccc(NC2=[NH+]C[C@@H](C3CC3)S2)cc1Cl ZINC000071306721 176115927 /nfs/dbraw/zinc/11/59/27/176115927.db2.gz ZUOLYAJSZLPQQY-LBPRGKRZSA-N 1 2 282.796 3.451 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cscc1Br ZINC000308799761 261658722 /nfs/dbraw/zinc/65/87/22/261658722.db2.gz AAGZWYHWOIQGDA-LDYMZIIASA-N 1 2 285.210 3.292 10 30 CGEELO Cc1cc(N2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c(C)[nH+]1 ZINC000301793105 280584923 /nfs/dbraw/zinc/58/49/23/280584923.db2.gz RSNDVTWCBQYCKC-OKILXGFUSA-N 1 2 255.365 3.197 10 30 CGEELO C=CCNC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000043440219 329582163 /nfs/dbraw/zinc/58/21/63/329582163.db2.gz JRZJGUHUDYKDIK-UHFFFAOYSA-N 1 2 284.363 3.070 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000061891813 329681782 /nfs/dbraw/zinc/68/17/82/329681782.db2.gz VUHMKWGHZDQWGK-ZANVPECISA-N 1 2 297.171 3.370 10 30 CGEELO Cc1occc1CN(C)c1cc(C)[nH+]c(C)c1C#N ZINC000157403430 526827904 /nfs/dbraw/zinc/82/79/04/526827904.db2.gz HLVHSZUTKSEMFK-UHFFFAOYSA-N 1 2 255.321 3.108 10 30 CGEELO C=C[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC=O ZINC000013459061 560216844 /nfs/dbraw/zinc/21/68/44/560216844.db2.gz SERYQFDKEYVUFP-DEYYWGMASA-N 1 2 294.398 3.478 10 30 in-vitro CGEELO C=C[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC=O ZINC000013459061 560216846 /nfs/dbraw/zinc/21/68/46/560216846.db2.gz SERYQFDKEYVUFP-DEYYWGMASA-N 1 2 294.398 3.478 10 30 in-vitro CGEELO Cc1cc(NCCCOc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000126261872 187228155 /nfs/dbraw/zinc/22/81/55/187228155.db2.gz RDXMYWZNHHFULO-UHFFFAOYSA-N 1 2 281.359 3.451 10 30 CGEELO N#Cc1cc(NCCn2cc[nH+]c2)nc2ccc(Cl)cc12 ZINC000092582898 345845921 /nfs/dbraw/zinc/84/59/21/345845921.db2.gz IIAPYZCZUIELJF-UHFFFAOYSA-N 1 2 297.749 3.068 10 30 CGEELO ON=C(c1ccccc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000257354195 346399937 /nfs/dbraw/zinc/39/99/37/346399937.db2.gz WGKIWFCGZYPLQF-UHFFFAOYSA-N 1 2 263.300 3.303 10 30 CGEELO CCOC(=O)[C@@](CCC#N)(c1ccccc1)[NH+](CC)CC ZINC000584595228 346687145 /nfs/dbraw/zinc/68/71/45/346687145.db2.gz AVVXBZXKOZTAMM-QGZVFWFLSA-N 1 2 288.391 3.091 10 30 CGEELO Cc1cc(NCCc2cccc(F)c2)c(C#N)c(C)[nH+]1 ZINC000133752426 371277320 /nfs/dbraw/zinc/27/73/20/371277320.db2.gz GSPHJZGCPQMOKP-UHFFFAOYSA-N 1 2 269.323 3.364 10 30 CGEELO C[C@@H](C#N)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000192608584 375769475 /nfs/dbraw/zinc/76/94/75/375769475.db2.gz CUIARQIJOHYQEC-LBPRGKRZSA-N 1 2 253.349 3.259 10 30 CGEELO N#CCC[N@@H+](Cc1ccc(Br)s1)C1CC1 ZINC000044415048 175173084 /nfs/dbraw/zinc/17/30/84/175173084.db2.gz SAHMOXMGBCWPKB-UHFFFAOYSA-N 1 2 285.210 3.389 10 30 CGEELO N#CCC[N@H+](Cc1ccc(Br)s1)C1CC1 ZINC000044415048 175173085 /nfs/dbraw/zinc/17/30/85/175173085.db2.gz SAHMOXMGBCWPKB-UHFFFAOYSA-N 1 2 285.210 3.389 10 30 CGEELO C[N@H+](Cc1cccc(Cl)c1)Cc1cccnc1C#N ZINC000061664374 523302622 /nfs/dbraw/zinc/30/26/22/523302622.db2.gz USKDRQZXLLTTRP-UHFFFAOYSA-N 1 2 271.751 3.239 10 30 CGEELO C[N@@H+](Cc1cccc(Cl)c1)Cc1cccnc1C#N ZINC000061664374 523302630 /nfs/dbraw/zinc/30/26/30/523302630.db2.gz USKDRQZXLLTTRP-UHFFFAOYSA-N 1 2 271.751 3.239 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000230686555 346321235 /nfs/dbraw/zinc/32/12/35/346321235.db2.gz BARULVJTHRAYIN-ZANVPECISA-N 1 2 252.720 3.261 10 30 CGEELO N#CCC1(C[N@@H+]2CCCC[C@H]2c2nccs2)CC1 ZINC000602768767 348025737 /nfs/dbraw/zinc/02/57/37/348025737.db2.gz ALQABJBCLUSQMQ-LBPRGKRZSA-N 1 2 261.394 3.364 10 30 CGEELO N#CCC1(C[N@H+]2CCCC[C@H]2c2nccs2)CC1 ZINC000602768767 348025738 /nfs/dbraw/zinc/02/57/38/348025738.db2.gz ALQABJBCLUSQMQ-LBPRGKRZSA-N 1 2 261.394 3.364 10 30 CGEELO Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)c(C#N)c(C)[nH+]1 ZINC000302076529 201333300 /nfs/dbraw/zinc/33/33/00/201333300.db2.gz WLAKAXQNULTNIH-AWEZNQCLSA-N 1 2 273.380 3.328 10 30 CGEELO C[C@H]([NH2+]CCc1cccs1)c1cc(C#N)ccc1O ZINC000026668059 368862800 /nfs/dbraw/zinc/86/28/00/368862800.db2.gz QWDLNUVIGBIEMU-NSHDSACASA-N 1 2 272.373 3.219 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000347697308 378725278 /nfs/dbraw/zinc/72/52/78/378725278.db2.gz COABHIRUEWFDRJ-ZANVPECISA-N 1 2 297.171 3.370 10 30 CGEELO CC(=[NH+]Nc1ccccc1[N+](=O)[O-])c1cccc(N)c1 ZINC000035343071 172135273 /nfs/dbraw/zinc/13/52/73/172135273.db2.gz VTQGHCYAHADMSQ-YBEGLDIGSA-N 1 2 270.292 3.013 10 30 CGEELO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(Cl)c1OC ZINC000110823276 261471330 /nfs/dbraw/zinc/47/13/30/261471330.db2.gz ZSBJIACNFHMPOS-ZYHUDNBSSA-N 1 2 294.782 3.139 10 30 CGEELO CC(C)(C)c1nc(C[NH2+][C@H]2CCC[C@@H]2C#N)cs1 ZINC000164288720 263270881 /nfs/dbraw/zinc/27/08/81/263270881.db2.gz UPRNPNHRWJRSFL-PWSUYJOCSA-N 1 2 263.410 3.222 10 30 CGEELO CS[C@@H]1CCCCN(c2cc(C)[nH+]c(C)c2C#N)C1 ZINC000160887106 278143636 /nfs/dbraw/zinc/14/36/36/278143636.db2.gz DDVYHAAQNDPHBZ-CYBMUJFWSA-N 1 2 275.421 3.292 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394748625 327959035 /nfs/dbraw/zinc/95/90/35/327959035.db2.gz ZLEDPRFNOBWQLA-BXKDBHETSA-N 1 2 297.171 3.370 10 30 CGEELO Cc1cc(NCc2cc(F)ccc2F)c(C#N)c(C)[nH+]1 ZINC000156582502 525277361 /nfs/dbraw/zinc/27/73/61/525277361.db2.gz UIOGCELBGBDQOB-UHFFFAOYSA-N 1 2 273.286 3.460 10 30 CGEELO CC(C)[NH2+]C/C(COc1cccc2ccccc21)=N\O ZINC000026002729 344905560 /nfs/dbraw/zinc/90/55/60/344905560.db2.gz ZSAGIFFJUVSAIV-NBVRZTHBSA-N 1 2 272.348 3.047 10 30 CGEELO COc1ccc(OCCNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301779640 201192957 /nfs/dbraw/zinc/19/29/57/201192957.db2.gz MOPRODWQWFHPIX-UHFFFAOYSA-N 1 2 297.358 3.070 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000054826261 369507954 /nfs/dbraw/zinc/50/79/54/369507954.db2.gz LAPZOYOZRBYJQM-NOZJJQNGSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000061891158 369610832 /nfs/dbraw/zinc/61/08/32/369610832.db2.gz KNJQUTIPKVPEIZ-ZYHUDNBSSA-N 1 2 284.281 3.367 10 30 CGEELO CN(C)c1cc(CNc2ccc(Cl)cc2C#N)cc[nH+]1 ZINC000301181331 373684974 /nfs/dbraw/zinc/68/49/74/373684974.db2.gz HVCGSERWGKHQDU-UHFFFAOYSA-N 1 2 286.766 3.285 10 30 CGEELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215168 373979034 /nfs/dbraw/zinc/97/90/34/373979034.db2.gz JCGHSNPNBBBQRL-HNNXBMFYSA-N 1 2 288.372 3.095 10 30 CGEELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215168 373979040 /nfs/dbraw/zinc/97/90/40/373979040.db2.gz JCGHSNPNBBBQRL-HNNXBMFYSA-N 1 2 288.372 3.095 10 30 CGEELO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220939321 376210498 /nfs/dbraw/zinc/21/04/98/376210498.db2.gz NBUKJZZAXAPVEO-ZDUSSCGKSA-N 1 2 272.348 3.399 10 30 CGEELO CS[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593976 376401657 /nfs/dbraw/zinc/40/16/57/376401657.db2.gz SLRVRJPIPOXALH-RYUDHWBXSA-N 1 2 261.394 3.266 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1c(F)cccc1F ZINC000251697010 377596280 /nfs/dbraw/zinc/59/62/80/377596280.db2.gz MQPBVANVKGCZMM-KWBADKCTSA-N 1 2 250.292 3.308 10 30 CGEELO CCn1c(C)nnc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195084752 392956522 /nfs/dbraw/zinc/95/65/22/392956522.db2.gz IMRMBDZECPUSCZ-CYBMUJFWSA-N 1 2 297.406 3.061 10 30 CGEELO CCn1c(C)nnc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000195084752 392956528 /nfs/dbraw/zinc/95/65/28/392956528.db2.gz IMRMBDZECPUSCZ-CYBMUJFWSA-N 1 2 297.406 3.061 10 30 CGEELO COc1cc(OC)c([NH2+]CCCC#N)cc1Cl ZINC000020046741 170977861 /nfs/dbraw/zinc/97/78/61/170977861.db2.gz LNHQKVQTZKVNIY-UHFFFAOYSA-N 1 2 254.717 3.073 10 30 CGEELO N#Cc1ccc(Cn2cc[nH+]c2-c2ccccc2)cc1 ZINC000040215022 174204273 /nfs/dbraw/zinc/20/42/73/174204273.db2.gz NIKDZOKWEWOLNW-UHFFFAOYSA-N 1 2 259.312 3.470 10 30 CGEELO N#Cc1cccc(N2Cc3ccc(F)cc3C2=[NH2+])c1 ZINC000071268625 176102457 /nfs/dbraw/zinc/10/24/57/176102457.db2.gz LEKLPULLBCIIIO-UHFFFAOYSA-N 1 2 251.264 3.043 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000160818751 262301293 /nfs/dbraw/zinc/30/12/93/262301293.db2.gz JWDBPJCTUPRICJ-ZANVPECISA-N 1 2 252.720 3.261 10 30 CGEELO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061892708 262406128 /nfs/dbraw/zinc/40/61/28/262406128.db2.gz UOLWAXLOARUULA-UONOGXRCSA-N 1 2 282.391 3.228 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000382668220 327878613 /nfs/dbraw/zinc/87/86/13/327878613.db2.gz VHWCBTHPCNOEQE-SKDRFNHKSA-N 1 2 297.171 3.370 10 30 CGEELO Cc1cc(N(C)Cc2cccc(F)c2)c(C#N)c(C)[nH+]1 ZINC000156552962 525028158 /nfs/dbraw/zinc/02/81/58/525028158.db2.gz KZPFNZGQBYMRPZ-UHFFFAOYSA-N 1 2 269.323 3.346 10 30 CGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000378972850 346554240 /nfs/dbraw/zinc/55/42/40/346554240.db2.gz KJJKLJNBAVWZBL-GXSJLCMTSA-N 1 2 283.169 3.214 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388493072 346569839 /nfs/dbraw/zinc/56/98/39/346569839.db2.gz IKTZKLVGUGCLLR-WCBMZHEXSA-N 1 2 285.210 3.292 10 30 CGEELO Cc1cc(Nc2ccc3c(c2)COC3)c(C#N)c(C)[nH+]1 ZINC000301913349 201259941 /nfs/dbraw/zinc/25/99/41/201259941.db2.gz DZKFMFVDJDWOML-UHFFFAOYSA-N 1 2 265.316 3.344 10 30 CGEELO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cc(F)ccc1F ZINC000061891278 369610634 /nfs/dbraw/zinc/61/06/34/369610634.db2.gz HFUSOIQUHGGTPN-IMSIIYSGSA-N 1 2 250.292 3.308 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000061891503 369611064 /nfs/dbraw/zinc/61/10/64/369611064.db2.gz KITOIIOLDQAVIL-JQWIXIFHSA-N 1 2 266.291 3.070 10 30 CGEELO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174411019 373311076 /nfs/dbraw/zinc/31/10/76/373311076.db2.gz JYRIMYBXKQQSJD-GFCCVEGCSA-N 1 2 294.358 3.372 10 30 CGEELO C#CCC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185718139 374722372 /nfs/dbraw/zinc/72/23/72/374722372.db2.gz LMXVAYBHPAALLL-AWEZNQCLSA-N 1 2 295.386 3.099 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000346965141 378699768 /nfs/dbraw/zinc/69/97/68/378699768.db2.gz ICLQHKDFNCMVCL-BXUZGUMPSA-N 1 2 291.192 3.305 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000346965141 378699776 /nfs/dbraw/zinc/69/97/76/378699776.db2.gz ICLQHKDFNCMVCL-BXUZGUMPSA-N 1 2 291.192 3.305 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1Br ZINC000382668219 392920350 /nfs/dbraw/zinc/92/03/50/392920350.db2.gz VHWCBTHPCNOEQE-JOYOIKCWSA-N 1 2 297.171 3.370 10 30 CGEELO N/[NH+]=C(/c1ccccc1Cl)c1cc(Cl)ccc1N ZINC000006226754 170183830 /nfs/dbraw/zinc/18/38/30/170183830.db2.gz QUEGNOLKMASBPU-AQTBWJFISA-N 1 2 280.158 3.287 10 30 CGEELO CCC(C)(C)c1ccc(OCCC/C(N)=[NH+]/O)cc1 ZINC000019808334 170877395 /nfs/dbraw/zinc/87/73/95/170877395.db2.gz MLUPDNMAEAUZNC-UHFFFAOYSA-N 1 2 264.369 3.280 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703547 174379061 /nfs/dbraw/zinc/37/90/61/174379061.db2.gz MRUGOSRFXIGXBG-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703547 174379062 /nfs/dbraw/zinc/37/90/62/174379062.db2.gz MRUGOSRFXIGXBG-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(C#N)cc1F)C2 ZINC000108952458 276066214 /nfs/dbraw/zinc/06/62/14/276066214.db2.gz XXQQCQZFWRBCEV-UHFFFAOYSA-N 1 2 298.365 3.117 10 30 CGEELO CCCC[C@H](CC)COCC[C@@H](C#N)[NH2+]C(C)C ZINC000062442301 521180100 /nfs/dbraw/zinc/18/01/00/521180100.db2.gz YXKPKQPUKMLOOI-GJZGRUSLSA-N 1 2 254.418 3.500 10 30 CGEELO Cc1ccc2c(c1)ncc(C#N)c2NCCCn1cc[nH+]c1 ZINC000223148316 622855500 /nfs/dbraw/zinc/85/55/00/622855500.db2.gz ZXGHLSDTBDXVKP-UHFFFAOYSA-N 1 2 291.358 3.114 10 30 CGEELO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)ccn1 ZINC000610992190 348414787 /nfs/dbraw/zinc/41/47/87/348414787.db2.gz JYDQXDHPORLZEW-AWEZNQCLSA-N 1 2 284.388 3.137 10 30 CGEELO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2nccs2)ccn1 ZINC000610992190 348414789 /nfs/dbraw/zinc/41/47/89/348414789.db2.gz JYDQXDHPORLZEW-AWEZNQCLSA-N 1 2 284.388 3.137 10 30 CGEELO Cc1cc(N(C)CCCOc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301797903 201204228 /nfs/dbraw/zinc/20/42/28/201204228.db2.gz UQBSXIIKCTXBPT-UHFFFAOYSA-N 1 2 295.386 3.475 10 30 CGEELO Cc1cc(NCC[C@@](C)(O)c2ccccc2)c(C#N)c(C)[nH+]1 ZINC000302411026 373864091 /nfs/dbraw/zinc/86/40/91/373864091.db2.gz LOWFWIGYRLFBGJ-GOSISDBHSA-N 1 2 295.386 3.280 10 30 CGEELO CCc1ccsc1C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328631190 374370843 /nfs/dbraw/zinc/37/08/43/374370843.db2.gz QPAUXYOFLCZGDN-NSHDSACASA-N 1 2 289.404 3.074 10 30 CGEELO CC#CC[N@@H+]1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000328606715 374371780 /nfs/dbraw/zinc/37/17/80/374371780.db2.gz SNUIPTHWQATOIR-OAHLLOKOSA-N 1 2 299.349 3.426 10 30 CGEELO CC#CC[N@H+]1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000328606715 374371790 /nfs/dbraw/zinc/37/17/90/374371790.db2.gz SNUIPTHWQATOIR-OAHLLOKOSA-N 1 2 299.349 3.426 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000168913976 329062094 /nfs/dbraw/zinc/06/20/94/329062094.db2.gz PIPPKFCHGMNCIP-BXKDBHETSA-N 1 2 252.720 3.261 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000230686559 346321520 /nfs/dbraw/zinc/32/15/20/346321520.db2.gz BARULVJTHRAYIN-RNCFNFMXSA-N 1 2 252.720 3.261 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000388493062 346570549 /nfs/dbraw/zinc/57/05/49/346570549.db2.gz IKTZKLVGUGCLLR-PSASIEDQSA-N 1 2 285.210 3.292 10 30 CGEELO CCCOc1ncccc1CNc1cc(C)[nH+]c(C)c1C#N ZINC000301750046 201173698 /nfs/dbraw/zinc/17/36/98/201173698.db2.gz ALJHSDLTRJBSPR-UHFFFAOYSA-N 1 2 296.374 3.366 10 30 CGEELO Cc1cc(N2CCS[C@H](C(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000301803782 373805494 /nfs/dbraw/zinc/80/54/94/373805494.db2.gz XDXJJFUHSWOEMM-HNNXBMFYSA-N 1 2 275.421 3.148 10 30 CGEELO COc1cc(C=Nc2ccc3[nH]c(C)[nH+]c3c2)ccc1O ZINC000005940859 170159039 /nfs/dbraw/zinc/15/90/39/170159039.db2.gz APWLVWWKNFATNU-RQZCQDPDSA-N 1 2 281.315 3.336 10 30 CGEELO Cc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000156538922 524612665 /nfs/dbraw/zinc/61/26/65/524612665.db2.gz NUUNUUIWYXUIDH-UHFFFAOYSA-N 1 2 251.333 3.491 10 30 CGEELO N#CC1C[NH+](C2c3ccccc3CCc3ccccc32)C1 ZINC000584631127 346698943 /nfs/dbraw/zinc/69/89/43/346698943.db2.gz VZNYXYORZOESQJ-UHFFFAOYSA-N 1 2 274.367 3.330 10 30 CGEELO COc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000211089386 189686809 /nfs/dbraw/zinc/68/68/09/189686809.db2.gz XERSZJYYGMWLLL-UHFFFAOYSA-N 1 2 267.332 3.191 10 30 CGEELO Cc1cc(NCCc2ccccc2F)c(C#N)c(C)[nH+]1 ZINC000133751788 371277475 /nfs/dbraw/zinc/27/74/75/371277475.db2.gz CZNBYQSGTZUNHA-UHFFFAOYSA-N 1 2 269.323 3.364 10 30 CGEELO C=CCCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176074065 373553892 /nfs/dbraw/zinc/55/38/92/373553892.db2.gz IILJRECCBABEAT-CQSZACIVSA-N 1 2 283.375 3.406 10 30 CGEELO N/C(CCCSc1ccc2ccccc2c1)=[NH+]\O ZINC000035676491 172347121 /nfs/dbraw/zinc/34/71/21/172347121.db2.gz GHYALXXDVWLAIN-UHFFFAOYSA-N 1 2 260.362 3.459 10 30 CGEELO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1OC(F)F ZINC000061891928 262405463 /nfs/dbraw/zinc/40/54/63/262405463.db2.gz HYAWJGJPGOLDSM-CMPLNLGQSA-N 1 2 296.317 3.078 10 30 CGEELO Cc1cc(N2CCc3ccc(F)cc32)c(C#N)c(C)[nH+]1 ZINC000227593464 301342885 /nfs/dbraw/zinc/34/28/85/301342885.db2.gz YMOZOWHCCOGMMU-UHFFFAOYSA-N 1 2 267.307 3.403 10 30 CGEELO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cc1 ZINC000227556495 333285828 /nfs/dbraw/zinc/28/58/28/333285828.db2.gz VTUZHPPEYQRTNI-CYBMUJFWSA-N 1 2 272.348 3.399 10 30 CGEELO Cc1cc(NCc2ccccc2F)c(C#N)c(C)[nH+]1 ZINC000156539342 525280674 /nfs/dbraw/zinc/28/06/74/525280674.db2.gz RQFRWWOOEYNLMK-UHFFFAOYSA-N 1 2 255.296 3.321 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127660905 187324918 /nfs/dbraw/zinc/32/49/18/187324918.db2.gz GOFKEMQWABIOEA-ZDUSSCGKSA-N 1 2 273.361 3.335 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)o1 ZINC000127660905 187324920 /nfs/dbraw/zinc/32/49/20/187324920.db2.gz GOFKEMQWABIOEA-ZDUSSCGKSA-N 1 2 273.361 3.335 10 30 CGEELO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1F ZINC000135141101 346086417 /nfs/dbraw/zinc/08/64/17/346086417.db2.gz BSHAIOKIBBMYTC-VIFPVBQESA-N 1 2 262.259 3.280 10 30 CGEELO N#Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616639060 348853197 /nfs/dbraw/zinc/85/31/97/348853197.db2.gz MLNIYQFBKRWJJK-SFHVURJKSA-N 1 2 278.355 3.132 10 30 CGEELO N#Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccccc2)cc1 ZINC000616639060 348853199 /nfs/dbraw/zinc/85/31/99/348853199.db2.gz MLNIYQFBKRWJJK-SFHVURJKSA-N 1 2 278.355 3.132 10 30 CGEELO Cc1cc(NCCc2ccc(F)cc2)c(C#N)c(C)[nH+]1 ZINC000133748842 371277010 /nfs/dbraw/zinc/27/70/10/371277010.db2.gz ANIOYWKUDZHNMF-UHFFFAOYSA-N 1 2 269.323 3.364 10 30 CGEELO C=CCCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176074049 373553749 /nfs/dbraw/zinc/55/37/49/373553749.db2.gz IILJRECCBABEAT-AWEZNQCLSA-N 1 2 283.375 3.406 10 30 CGEELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000329913729 374440119 /nfs/dbraw/zinc/44/01/19/374440119.db2.gz CASPNJGUZUSLHR-DZGCQCFKSA-N 1 2 296.374 3.117 10 30 CGEELO Cc1cc(NC[C@H](C)c2nccs2)c(C#N)c(C)[nH+]1 ZINC000230607551 376521928 /nfs/dbraw/zinc/52/19/28/376521928.db2.gz VCWSHJGYIPNYFK-VIFPVBQESA-N 1 2 272.377 3.242 10 30 CGEELO C=C(Br)C[NH+]1CCC(c2nccs2)CC1 ZINC000373994220 392667170 /nfs/dbraw/zinc/66/71/70/392667170.db2.gz VMDBIXIOMZPTFF-UHFFFAOYSA-N 1 2 287.226 3.231 10 30 CGEELO C[C@@H]1C[NH+]=C(Nc2ccc(OC(F)F)cc2)S1 ZINC000035082661 171968099 /nfs/dbraw/zinc/96/80/99/171968099.db2.gz VLTJPSWHYFQSPA-SSDOTTSWSA-N 1 2 258.293 3.000 10 30 CGEELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000333631086 228207389 /nfs/dbraw/zinc/20/73/89/228207389.db2.gz QYMGBXGMJUPGAJ-WCQYABFASA-N 1 2 287.388 3.493 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1Br ZINC000347697301 335403096 /nfs/dbraw/zinc/40/30/96/335403096.db2.gz COABHIRUEWFDRJ-RNCFNFMXSA-N 1 2 297.171 3.370 10 30 CGEELO Cc1ccc(OCCN(C)c2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301801311 201205959 /nfs/dbraw/zinc/20/59/59/201205959.db2.gz WDTGUBCRSJRUQP-UHFFFAOYSA-N 1 2 295.386 3.394 10 30 CGEELO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000120948051 370816152 /nfs/dbraw/zinc/81/61/52/370816152.db2.gz DVETYLVUHSVIDV-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000120948051 370816158 /nfs/dbraw/zinc/81/61/58/370816158.db2.gz DVETYLVUHSVIDV-MRXNPFEDSA-N 1 2 284.338 3.148 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000061891811 369610548 /nfs/dbraw/zinc/61/05/48/369610548.db2.gz VUHMKWGHZDQWGK-RNCFNFMXSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000061891500 369610920 /nfs/dbraw/zinc/61/09/20/369610920.db2.gz KITOIIOLDQAVIL-ZYHUDNBSSA-N 1 2 266.291 3.070 10 30 CGEELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025609 372101229 /nfs/dbraw/zinc/10/12/29/372101229.db2.gz DODHXTMNGKZGQJ-KRWDZBQOSA-N 1 2 282.343 3.033 10 30 CGEELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CCO2)o1 ZINC000159025609 372101233 /nfs/dbraw/zinc/10/12/33/372101233.db2.gz DODHXTMNGKZGQJ-KRWDZBQOSA-N 1 2 282.343 3.033 10 30 CGEELO COc1cccc2c1CCN(c1cc(C)[nH+]c(C)c1C#N)C2 ZINC000302197910 373827450 /nfs/dbraw/zinc/82/74/50/373827450.db2.gz TZWATRXPZYDYBE-UHFFFAOYSA-N 1 2 293.370 3.141 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2ccc(Cl)cc2)c1N ZINC000040708991 174380583 /nfs/dbraw/zinc/38/05/83/174380583.db2.gz VJGAEUGYZXZXCX-UHFFFAOYSA-N 1 2 275.743 3.054 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2ccc(Cl)cc2)c1N ZINC000040708991 174380584 /nfs/dbraw/zinc/38/05/84/174380584.db2.gz VJGAEUGYZXZXCX-UHFFFAOYSA-N 1 2 275.743 3.054 10 30 CGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829057 526499845 /nfs/dbraw/zinc/49/98/45/526499845.db2.gz WPLGIWBOMKTRNY-IINYFYTJSA-N 1 2 250.292 3.137 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000599466041 347747108 /nfs/dbraw/zinc/74/71/08/347747108.db2.gz YOQOJRCKJTZXNK-GWCFXTLKSA-N 1 2 294.196 3.016 10 30 CGEELO C=CC[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176861452 189011869 /nfs/dbraw/zinc/01/18/69/189011869.db2.gz ZORYILJFZMNWHG-UONOGXRCSA-N 1 2 298.390 3.197 10 30 CGEELO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248877491 334320387 /nfs/dbraw/zinc/32/03/87/334320387.db2.gz RHIDJTZOKIXKPV-MCIONIFRSA-N 1 2 280.412 3.169 10 30 CGEELO CCC[NH2+][C@H](C#N)CCOc1cc(C)cc(C)c1C ZINC000062447268 520059394 /nfs/dbraw/zinc/05/93/94/520059394.db2.gz ZXCFSXJTRFZZDA-HNNXBMFYSA-N 1 2 260.381 3.273 10 30 CGEELO CCCCCCCCC[N@@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000192045606 640347308 /nfs/dbraw/zinc/34/73/08/640347308.db2.gz IHIBEIJSKLMCNK-HNNXBMFYSA-N 1 2 294.443 3.237 10 30 CGEELO CCCCCCCCC[N@H+]1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000192045606 640347312 /nfs/dbraw/zinc/34/73/12/640347312.db2.gz IHIBEIJSKLMCNK-HNNXBMFYSA-N 1 2 294.443 3.237 10 30 CGEELO CCCCCCCNC(=O)OCCCc1c[nH+]c[nH]1 ZINC000036289074 344944233 /nfs/dbraw/zinc/94/42/33/344944233.db2.gz XPSRIMNHOBWTMI-UHFFFAOYSA-N 1 2 267.373 3.039 10 30 CGEELO CCCCCCCNC(=O)OCCCc1c[nH]c[nH+]1 ZINC000036289074 344944236 /nfs/dbraw/zinc/94/42/36/344944236.db2.gz XPSRIMNHOBWTMI-UHFFFAOYSA-N 1 2 267.373 3.039 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000230686419 346321540 /nfs/dbraw/zinc/32/15/40/346321540.db2.gz KCEGLTYHCVKMTQ-ZANVPECISA-N 1 2 297.171 3.370 10 30 CGEELO C=CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000176861439 189012071 /nfs/dbraw/zinc/01/20/71/189012071.db2.gz ZORYILJFZMNWHG-KGLIPLIRSA-N 1 2 298.390 3.197 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000054826264 369507271 /nfs/dbraw/zinc/50/72/71/369507271.db2.gz LAPZOYOZRBYJQM-ZANVPECISA-N 1 2 297.171 3.370 10 30 CGEELO C[C@@H]1CSC(Nc2cccc(Br)c2)=[NH+]1 ZINC000035294936 172107222 /nfs/dbraw/zinc/10/72/22/172107222.db2.gz FNZAVRXRJUYXCL-SSDOTTSWSA-N 1 2 271.183 3.162 10 30 CGEELO Cc1cc(NC[C@@H]2Cc3ccccc32)c(C#N)c(C)[nH+]1 ZINC000156590435 525274742 /nfs/dbraw/zinc/27/47/42/525274742.db2.gz PBAFHRJVPBXLPU-AWEZNQCLSA-N 1 2 263.344 3.322 10 30 CGEELO Cc1cc(NCc2ccccc2C)c(C#N)c(C)[nH+]1 ZINC000156540025 525280838 /nfs/dbraw/zinc/28/08/38/525280838.db2.gz YTZPQVGXOGHRBU-UHFFFAOYSA-N 1 2 251.333 3.491 10 30 CGEELO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc(F)ccc1F ZINC000135141117 346086161 /nfs/dbraw/zinc/08/61/61/346086161.db2.gz BSHAIOKIBBMYTC-SECBINFHSA-N 1 2 262.259 3.280 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000061891159 369611161 /nfs/dbraw/zinc/61/11/61/369611161.db2.gz KNJQUTIPKVPEIZ-PWSUYJOCSA-N 1 2 284.281 3.367 10 30 CGEELO CCCCCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000157754003 372036287 /nfs/dbraw/zinc/03/62/87/372036287.db2.gz YCWNIORNKDZKPO-CYBMUJFWSA-N 1 2 268.426 3.487 10 30 CGEELO CCCCCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000157754003 372036295 /nfs/dbraw/zinc/03/62/95/372036295.db2.gz YCWNIORNKDZKPO-CYBMUJFWSA-N 1 2 268.426 3.487 10 30 CGEELO CC[C@H]1CSC(Nc2ccc(OC)c(Cl)c2)=[NH+]1 ZINC000035294427 172105927 /nfs/dbraw/zinc/10/59/27/172105927.db2.gz XAJWHAISNAQPEQ-QMMMGPOBSA-N 1 2 270.785 3.451 10 30 CGEELO CC(C)(C)c1nc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cs1 ZINC000164288594 263270337 /nfs/dbraw/zinc/27/03/37/263270337.db2.gz UPRNPNHRWJRSFL-ZYHUDNBSSA-N 1 2 263.410 3.222 10 30 CGEELO CCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000185900871 333151411 /nfs/dbraw/zinc/15/14/11/333151411.db2.gz RHIDJTZOKIXKPV-MJBXVCDLSA-N 1 2 280.412 3.169 10 30 CGEELO CCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000248877494 334320350 /nfs/dbraw/zinc/32/03/50/334320350.db2.gz RHIDJTZOKIXKPV-RDBSUJKOSA-N 1 2 280.412 3.169 10 30 CGEELO CC[NH2+][C@](C)(C#N)CCCOc1cc(F)cc(F)c1 ZINC000054933808 520225627 /nfs/dbraw/zinc/22/56/27/520225627.db2.gz YAVRJXPHRIPHBG-AWEZNQCLSA-N 1 2 268.307 3.016 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719208 283141771 /nfs/dbraw/zinc/14/17/71/283141771.db2.gz AINIGKWPNVOHGP-HZPDHXFCSA-N 1 2 290.794 3.355 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719208 283141779 /nfs/dbraw/zinc/14/17/79/283141779.db2.gz AINIGKWPNVOHGP-HZPDHXFCSA-N 1 2 290.794 3.355 10 30 CGEELO COC(=O)Nc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301770652 201186745 /nfs/dbraw/zinc/18/67/45/201186745.db2.gz JADHYYIGUVIVDE-UHFFFAOYSA-N 1 2 296.330 3.492 10 30 CGEELO C[C@@H]([NH2+]CCc1cccs1)c1cc(C#N)ccc1O ZINC000026668055 368863007 /nfs/dbraw/zinc/86/30/07/368863007.db2.gz QWDLNUVIGBIEMU-LLVKDONJSA-N 1 2 272.373 3.219 10 30 CGEELO C[C@H]1C[NH+]=C(Nc2cccc(Br)c2)S1 ZINC000035083668 368996653 /nfs/dbraw/zinc/99/66/53/368996653.db2.gz GPYPFYKIZKZAAG-ZETCQYMHSA-N 1 2 271.183 3.162 10 30 CGEELO Cc1cc(N[C@H](C)c2cccc(O)c2)c(C#N)c(C)[nH+]1 ZINC000160632838 372264190 /nfs/dbraw/zinc/26/41/90/372264190.db2.gz ALEFWLNLLGEVPD-LLVKDONJSA-N 1 2 267.332 3.449 10 30 CGEELO C=CCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946603 373221628 /nfs/dbraw/zinc/22/16/28/373221628.db2.gz UFLZPNPVGDXPBR-ZDUSSCGKSA-N 1 2 269.348 3.016 10 30 CGEELO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174411035 373310956 /nfs/dbraw/zinc/31/09/56/373310956.db2.gz JYRIMYBXKQQSJD-LBPRGKRZSA-N 1 2 294.358 3.372 10 30 CGEELO Cc1nc(CNc2cc(C)[nH+]c(C)c2C#N)c(C)s1 ZINC000301837738 373809110 /nfs/dbraw/zinc/80/91/10/373809110.db2.gz MXGGMAZEDOWGBV-UHFFFAOYSA-N 1 2 272.377 3.256 10 30 CGEELO C[C@H]1CSC(Nc2cccc(Br)c2)=[NH+]1 ZINC000035294937 172107237 /nfs/dbraw/zinc/10/72/37/172107237.db2.gz FNZAVRXRJUYXCL-ZETCQYMHSA-N 1 2 271.183 3.162 10 30 CGEELO COc1ccc(NC2=[NH+]C[C@H](C3CC3)S2)cc1Cl ZINC000071306719 176115919 /nfs/dbraw/zinc/11/59/19/176115919.db2.gz ZUOLYAJSZLPQQY-GFCCVEGCSA-N 1 2 282.796 3.451 10 30 CGEELO CN1CCOc2ccc([NH2+][C@@H]3CCC[C@@H](C#N)C3)cc21 ZINC000249052795 329904120 /nfs/dbraw/zinc/90/41/20/329904120.db2.gz XXERXXAHNHMLLV-CHWSQXEVSA-N 1 2 271.364 3.009 10 30 CGEELO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cnn1C(C)C ZINC000588559960 799711190 /nfs/dbraw/zinc/71/11/90/799711190.db2.gz ZOEPDKAQLKROAO-FPLPWBNLSA-N 1 2 294.358 3.316 10 30 CGEELO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Br ZINC000599466042 347746834 /nfs/dbraw/zinc/74/68/34/347746834.db2.gz YOQOJRCKJTZXNK-GXFFZTMASA-N 1 2 294.196 3.016 10 30 CGEELO CCC(C)(C)[NH+]=C(Nc1nccs1)Nc1cccnc1 ZINC000013208043 368646236 /nfs/dbraw/zinc/64/62/36/368646236.db2.gz QFSDTQTUKIMXAD-UHFFFAOYSA-N 1 2 289.408 3.416 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894599 372431215 /nfs/dbraw/zinc/43/12/15/372431215.db2.gz AINIGKWPNVOHGP-JKSUJKDBSA-N 1 2 290.794 3.355 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000162894599 372431222 /nfs/dbraw/zinc/43/12/22/372431222.db2.gz AINIGKWPNVOHGP-JKSUJKDBSA-N 1 2 290.794 3.355 10 30 CGEELO CCc1ccsc1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328631188 374371588 /nfs/dbraw/zinc/37/15/88/374371588.db2.gz QPAUXYOFLCZGDN-LLVKDONJSA-N 1 2 289.404 3.074 10 30 CGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H](C)c1cccnc1)CCC2 ZINC000328843165 374387064 /nfs/dbraw/zinc/38/70/64/374387064.db2.gz UWCRMPYMLJHXRH-HIFRSBDPSA-N 1 2 298.390 3.224 10 30 CGEELO COCCC(C)(C)CNc1cc(C)[nH+]c(C)c1C#N ZINC000230841129 376543728 /nfs/dbraw/zinc/54/37/28/376543728.db2.gz ZBOMGPJRSCORCQ-UHFFFAOYSA-N 1 2 261.369 3.045 10 30 CGEELO N#CCC[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687121 175094583 /nfs/dbraw/zinc/09/45/83/175094583.db2.gz DRJDZUPBYXWSEE-UHFFFAOYSA-N 1 2 285.210 3.389 10 30 CGEELO N#CCC[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687121 175094585 /nfs/dbraw/zinc/09/45/85/175094585.db2.gz DRJDZUPBYXWSEE-UHFFFAOYSA-N 1 2 285.210 3.389 10 30 CGEELO CC[C@H](C)[C@@](C#N)(CC[NH+]1CCOCC1)c1ccccc1 ZINC000031554832 344926915 /nfs/dbraw/zinc/92/69/15/344926915.db2.gz KUSPAVYMGQSRFN-WMZOPIPTSA-N 1 2 286.419 3.216 10 30 CGEELO CC(C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000595691995 347338968 /nfs/dbraw/zinc/33/89/68/347338968.db2.gz KYAOUAGHAVLQRN-WCQYABFASA-N 1 2 263.410 3.438 10 30 CGEELO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1Br ZINC000599466044 347746850 /nfs/dbraw/zinc/74/68/50/347746850.db2.gz YOQOJRCKJTZXNK-ZWNOBZJWSA-N 1 2 294.196 3.016 10 30 CGEELO N#Cc1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000128677161 187383477 /nfs/dbraw/zinc/38/34/77/187383477.db2.gz LIHQKMPWNCRWHH-UHFFFAOYSA-N 1 2 280.306 3.228 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000061891501 369611191 /nfs/dbraw/zinc/61/11/91/369611191.db2.gz KITOIIOLDQAVIL-PWSUYJOCSA-N 1 2 266.291 3.070 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922086 370350617 /nfs/dbraw/zinc/35/06/17/370350617.db2.gz RSTHYLBTRRKXLF-LBPRGKRZSA-N 1 2 298.228 3.082 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922086 370350623 /nfs/dbraw/zinc/35/06/23/370350623.db2.gz RSTHYLBTRRKXLF-LBPRGKRZSA-N 1 2 298.228 3.082 10 30 CGEELO C/C(c1cccs1)=[N+](/O)[C@H](C)/C(=N/O)c1ccccc1 ZINC000575346616 377884935 /nfs/dbraw/zinc/88/49/35/377884935.db2.gz YFKXYUQRLDQFFJ-JILMZEEBSA-O 1 2 289.380 3.226 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000346965143 378700211 /nfs/dbraw/zinc/70/02/11/378700211.db2.gz ICLQHKDFNCMVCL-FZMZJTMJSA-N 1 2 291.192 3.305 10 30 CGEELO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000346965143 378700219 /nfs/dbraw/zinc/70/02/19/378700219.db2.gz ICLQHKDFNCMVCL-FZMZJTMJSA-N 1 2 291.192 3.305 10 30 CGEELO CCn1c(C)nnc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084738 392956410 /nfs/dbraw/zinc/95/64/10/392956410.db2.gz IMRMBDZECPUSCZ-ZDUSSCGKSA-N 1 2 297.406 3.061 10 30 CGEELO CCn1c(C)nnc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084738 392956413 /nfs/dbraw/zinc/95/64/13/392956413.db2.gz IMRMBDZECPUSCZ-ZDUSSCGKSA-N 1 2 297.406 3.061 10 30 CGEELO COc1ccc(NC2=[NH+][C@H](C)CS2)cc1Cl ZINC000035294419 172106145 /nfs/dbraw/zinc/10/61/45/172106145.db2.gz KXWDBPWUHQFNSZ-SSDOTTSWSA-N 1 2 256.758 3.061 10 30 CGEELO CC(C)(C)c1nc(C[NH2+][C@H]2CCC[C@H]2C#N)cs1 ZINC000164288955 263271001 /nfs/dbraw/zinc/27/10/01/263271001.db2.gz UPRNPNHRWJRSFL-JQWIXIFHSA-N 1 2 263.410 3.222 10 30 CGEELO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1ccc(F)cc1F ZINC000251584417 329931593 /nfs/dbraw/zinc/93/15/93/329931593.db2.gz WQZQYVLKLZFARL-BHDSKKPTSA-N 1 2 250.292 3.308 10 30 CGEELO CC[C@@H](C)[C@@](C#N)(CC[NH+]1CCOCC1)c1ccccc1 ZINC000031554830 344926668 /nfs/dbraw/zinc/92/66/68/344926668.db2.gz KUSPAVYMGQSRFN-AEFFLSMTSA-N 1 2 286.419 3.216 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000600145990 347784845 /nfs/dbraw/zinc/78/48/45/347784845.db2.gz SYFNBERYELXXKI-PELKAZGASA-N 1 2 270.710 3.400 10 30 CGEELO CCOc1ccc(NC2=[NH+]CCCS2)cc1OCC ZINC000034971973 368984026 /nfs/dbraw/zinc/98/40/26/368984026.db2.gz WAPCXYJELGNXEO-UHFFFAOYSA-N 1 2 280.393 3.198 10 30 CGEELO [NH3+][C@@H](/C=N/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044830784 369270827 /nfs/dbraw/zinc/27/08/27/369270827.db2.gz DIQCUSJNWHOORW-JJSRBOOSSA-N 1 2 286.175 3.184 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000168914139 372623867 /nfs/dbraw/zinc/62/38/67/372623867.db2.gz PIPPKFCHGMNCIP-JOYOIKCWSA-N 1 2 252.720 3.261 10 30 CGEELO COCc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000302839667 373981381 /nfs/dbraw/zinc/98/13/81/373981381.db2.gz ZLETZUZXJDWAFP-UHFFFAOYSA-N 1 2 267.332 3.460 10 30 CGEELO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H](C)c1cccnc1)CCC2 ZINC000328843466 374387319 /nfs/dbraw/zinc/38/73/19/374387319.db2.gz UWCRMPYMLJHXRH-ZFWWWQNUSA-N 1 2 298.390 3.224 10 30 CGEELO Clc1ccc(C#CC[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000177091963 329182973 /nfs/dbraw/zinc/18/29/73/329182973.db2.gz VLWCSRMODODAJH-UHFFFAOYSA-N 1 2 299.805 3.294 10 30 CGEELO CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020338 523517662 /nfs/dbraw/zinc/51/76/62/523517662.db2.gz IGUNXRBVVYGDNS-BMFZPTHFSA-N 1 2 258.365 3.141 10 30 CGEELO CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020338 523517670 /nfs/dbraw/zinc/51/76/70/523517670.db2.gz IGUNXRBVVYGDNS-BMFZPTHFSA-N 1 2 258.365 3.141 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000054829055 526512653 /nfs/dbraw/zinc/51/26/53/526512653.db2.gz WPLGIWBOMKTRNY-YGRLFVJLSA-N 1 2 250.292 3.137 10 30 CGEELO N#CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000059613775 345208061 /nfs/dbraw/zinc/20/80/61/345208061.db2.gz VOTOVNUEASEEOS-UHFFFAOYSA-N 1 2 298.217 3.419 10 30 CGEELO C=CC[NH+]1CCN(C(=O)CCCCC2CCCCC2)CC1 ZINC000143690815 346114872 /nfs/dbraw/zinc/11/48/72/346114872.db2.gz YCFJICDCRMPUHM-UHFFFAOYSA-N 1 2 292.467 3.457 10 30 CGEELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901880 138353129 /nfs/dbraw/zinc/35/31/29/138353129.db2.gz DRWRIFSZHWDXPR-QGZVFWFLSA-N 1 2 298.365 3.039 10 30 CGEELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000105901880 138353130 /nfs/dbraw/zinc/35/31/30/138353130.db2.gz DRWRIFSZHWDXPR-QGZVFWFLSA-N 1 2 298.365 3.039 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000054825900 369507489 /nfs/dbraw/zinc/50/74/89/369507489.db2.gz PDWONLPSMMCNDY-ZANVPECISA-N 1 2 297.171 3.370 10 30 CGEELO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061892707 369610780 /nfs/dbraw/zinc/61/07/80/369610780.db2.gz UOLWAXLOARUULA-KGLIPLIRSA-N 1 2 282.391 3.228 10 30 CGEELO CCCCCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000157753833 372035634 /nfs/dbraw/zinc/03/56/34/372035634.db2.gz YCWNIORNKDZKPO-ZDUSSCGKSA-N 1 2 268.426 3.487 10 30 CGEELO CCCCCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000157753833 372035644 /nfs/dbraw/zinc/03/56/44/372035644.db2.gz YCWNIORNKDZKPO-ZDUSSCGKSA-N 1 2 268.426 3.487 10 30 CGEELO CS[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(C)c2C#N)C1 ZINC000227593970 376401577 /nfs/dbraw/zinc/40/15/77/376401577.db2.gz SLRVRJPIPOXALH-NWDGAFQWSA-N 1 2 261.394 3.266 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000347697298 378725537 /nfs/dbraw/zinc/72/55/37/378725537.db2.gz COABHIRUEWFDRJ-NOZJJQNGSA-N 1 2 297.171 3.370 10 30 CGEELO O/N=C(/Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000005973975 170164206 /nfs/dbraw/zinc/16/42/06/170164206.db2.gz WDFDJSRQMAZXEJ-PTNGSMBKSA-N 1 2 270.119 3.068 10 30 CGEELO Cc1ccc(C(C)C)cc1OCCC/C(N)=[NH+]/O ZINC000038053049 174064716 /nfs/dbraw/zinc/06/47/16/174064716.db2.gz HAKOAIGQIZNSLZ-UHFFFAOYSA-N 1 2 250.342 3.024 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2ccccc2Cl)c1N ZINC000040708977 174379950 /nfs/dbraw/zinc/37/99/50/174379950.db2.gz VYDSPBWYDXEJHA-UHFFFAOYSA-N 1 2 275.743 3.054 10 30 CGEELO CCCCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220606815 637682601 /nfs/dbraw/zinc/68/26/01/637682601.db2.gz QSBCBMVHUYSBTK-CQSZACIVSA-N 1 2 291.439 3.300 10 30 CGEELO CCCCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220606815 637682605 /nfs/dbraw/zinc/68/26/05/637682605.db2.gz QSBCBMVHUYSBTK-CQSZACIVSA-N 1 2 291.439 3.300 10 30 CGEELO N#C[C@]1(N2CCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000037355638 344949458 /nfs/dbraw/zinc/94/94/58/344949458.db2.gz MTDUYAOVCSHIKU-GOSISDBHSA-N 1 2 283.419 3.031 10 30 CGEELO N#C[C@]1(N2CCCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000037355638 344949461 /nfs/dbraw/zinc/94/94/61/344949461.db2.gz MTDUYAOVCSHIKU-GOSISDBHSA-N 1 2 283.419 3.031 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000111405614 345949411 /nfs/dbraw/zinc/94/94/11/345949411.db2.gz VSOVIUBCUYJXSF-HZMBPMFUSA-N 1 2 250.292 3.137 10 30 CGEELO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c(s1)CCCC2 ZINC000597196495 347550584 /nfs/dbraw/zinc/55/05/84/347550584.db2.gz DNYHVNCNJGWJNS-RYUDHWBXSA-N 1 2 275.421 3.194 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000600145996 347784626 /nfs/dbraw/zinc/78/46/26/347784626.db2.gz SYFNBERYELXXKI-UFBFGSQYSA-N 1 2 270.710 3.400 10 30 CGEELO N#CCC[C@H](C#N)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127510905 370952675 /nfs/dbraw/zinc/95/26/75/370952675.db2.gz DIMDGQUZVAXVEU-CQSZACIVSA-N 1 2 283.350 3.358 10 30 CGEELO N#CCC[C@H](C#N)C[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000127510905 370952683 /nfs/dbraw/zinc/95/26/83/370952683.db2.gz DIMDGQUZVAXVEU-CQSZACIVSA-N 1 2 283.350 3.358 10 30 CGEELO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172068212 372895090 /nfs/dbraw/zinc/89/50/90/372895090.db2.gz ZQDADUNFZKSUJO-MRXNPFEDSA-N 1 2 266.348 3.009 10 30 CGEELO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172068212 372895095 /nfs/dbraw/zinc/89/50/95/372895095.db2.gz ZQDADUNFZKSUJO-MRXNPFEDSA-N 1 2 266.348 3.009 10 30 CGEELO N#Cc1ccc(-c2c[nH+]cn2CCc2ccc(F)cc2)cn1 ZINC000584628503 378395403 /nfs/dbraw/zinc/39/54/03/378395403.db2.gz KOBHCFALHJKKMC-UHFFFAOYSA-N 1 2 292.317 3.199 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394748712 397695969 /nfs/dbraw/zinc/69/59/69/397695969.db2.gz ZLEDPRFNOBWQLA-SKDRFNHKSA-N 1 2 297.171 3.370 10 30 CGEELO C#Cc1cccc(NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000020034626 170974705 /nfs/dbraw/zinc/97/47/05/170974705.db2.gz SKMGDUGZXJMWNO-UHFFFAOYSA-N 1 2 266.344 3.300 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000230686562 346321121 /nfs/dbraw/zinc/32/11/21/346321121.db2.gz BARULVJTHRAYIN-TVQRCGJNSA-N 1 2 252.720 3.261 10 30 CGEELO C=C(Br)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922089 370350494 /nfs/dbraw/zinc/35/04/94/370350494.db2.gz RSTHYLBTRRKXLF-GFCCVEGCSA-N 1 2 298.228 3.082 10 30 CGEELO C=C(Br)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105922089 370350500 /nfs/dbraw/zinc/35/05/00/370350500.db2.gz RSTHYLBTRRKXLF-GFCCVEGCSA-N 1 2 298.228 3.082 10 30 CGEELO N#CCC[C@@H](C#N)C[N@H+]1CC=C(c2cccs2)CC1 ZINC000117945345 370602795 /nfs/dbraw/zinc/60/27/95/370602795.db2.gz BQDBJKBMZUIYJQ-ZDUSSCGKSA-N 1 2 271.389 3.281 10 30 CGEELO N#CCC[C@@H](C#N)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117945345 370602799 /nfs/dbraw/zinc/60/27/99/370602799.db2.gz BQDBJKBMZUIYJQ-ZDUSSCGKSA-N 1 2 271.389 3.281 10 30 CGEELO Cc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c[nH+]1 ZINC000329318375 374404093 /nfs/dbraw/zinc/40/40/93/374404093.db2.gz IECGVMHHTAPLSX-STQMWFEESA-N 1 2 261.369 3.239 10 30 CGEELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)o1 ZINC000221122349 393006503 /nfs/dbraw/zinc/00/65/03/393006503.db2.gz SSHOWMCHHXGYJM-JTQLQIEISA-N 1 2 275.739 3.359 10 30 CGEELO CC(=[NH+]Nc1ccccc1[N+](=O)[O-])c1ccc(N)cc1 ZINC000005260658 170080978 /nfs/dbraw/zinc/08/09/78/170080978.db2.gz XBMOUFVOGXLWIM-MHWRWJLKSA-N 1 2 270.292 3.013 10 30 CGEELO N#C[C@@]1([NH+]2CCCCCC2)CCc2ccccc2C1 ZINC000038086298 174097784 /nfs/dbraw/zinc/09/77/84/174097784.db2.gz SFFDDYQGPSWVPS-QGZVFWFLSA-N 1 2 254.377 3.314 10 30 CGEELO C=C(C)Cn1c2cc(C)c(C)cc2[nH+]c1CCCO ZINC000040310933 174230318 /nfs/dbraw/zinc/23/03/18/174230318.db2.gz AGWRJWVGBUQZDH-UHFFFAOYSA-N 1 2 258.365 3.154 10 30 CGEELO CCCC[C@@H](CC)COCC[C@H](C#N)[NH2+]C(C)C ZINC000062442304 521038320 /nfs/dbraw/zinc/03/83/20/521038320.db2.gz YXKPKQPUKMLOOI-HUUCEWRRSA-N 1 2 254.418 3.500 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000595695061 347339978 /nfs/dbraw/zinc/33/99/78/347339978.db2.gz RQCDGFJMQCTNTK-YPMHNXCESA-N 1 2 261.394 3.192 10 30 CGEELO Cc1cc(N(C)C[C@H]2CC=CCC2)c(C#N)c(C)[nH+]1 ZINC000302124679 201351171 /nfs/dbraw/zinc/35/11/71/201351171.db2.gz FJJWREDMWLLIFH-AWEZNQCLSA-N 1 2 255.365 3.363 10 30 CGEELO N#Cc1ccc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)o1 ZINC000275523333 193066440 /nfs/dbraw/zinc/06/64/40/193066440.db2.gz LIHVWJFJGBXLPZ-INIZCTEOSA-N 1 2 296.374 3.090 10 30 CGEELO Cc1ccc(NC2=[NH+]CCS2)c(Br)c1 ZINC000013858486 368669269 /nfs/dbraw/zinc/66/92/69/368669269.db2.gz JIJYATWAJFQWRF-UHFFFAOYSA-N 1 2 271.183 3.081 10 30 CGEELO FC(F)(F)Oc1cccc(NC2=[NH+]CCCS2)c1 ZINC000034971995 368983823 /nfs/dbraw/zinc/98/38/23/368983823.db2.gz JBGUZBDWUGPSPJ-UHFFFAOYSA-N 1 2 276.283 3.299 10 30 CGEELO Cc1cc(NC[C@@H](C)c2nccs2)c(C#N)c(C)[nH+]1 ZINC000230607535 376520918 /nfs/dbraw/zinc/52/09/18/376520918.db2.gz VCWSHJGYIPNYFK-SECBINFHSA-N 1 2 272.377 3.242 10 30 CGEELO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000160409001 392581735 /nfs/dbraw/zinc/58/17/35/392581735.db2.gz IQSCUSFAUFBYCB-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000160409001 392581741 /nfs/dbraw/zinc/58/17/41/392581741.db2.gz IQSCUSFAUFBYCB-INIZCTEOSA-N 1 2 284.338 3.148 10 30 CGEELO COC(C)(C)C[C@H](C)[NH2+]c1ccc(OCC#N)cc1 ZINC000034963690 171906962 /nfs/dbraw/zinc/90/69/62/171906962.db2.gz NIGWYPITVJKSSM-LBPRGKRZSA-N 1 2 262.353 3.204 10 30 CGEELO CC[C@@H](C)[NH2+][C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000038064542 174075466 /nfs/dbraw/zinc/07/54/66/174075466.db2.gz MBVDUMWCVQBGMT-CJNGLKHVSA-N 1 2 260.381 3.298 10 30 CGEELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000329913731 227983735 /nfs/dbraw/zinc/98/37/35/227983735.db2.gz CASPNJGUZUSLHR-UKRRQHHQSA-N 1 2 296.374 3.117 10 30 CGEELO Cc1csc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)n1 ZINC000174838895 261585904 /nfs/dbraw/zinc/58/59/04/261585904.db2.gz WDYPCWFKNRVOBZ-ZDUSSCGKSA-N 1 2 293.436 3.155 10 30 CGEELO Cc1csc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)n1 ZINC000174838895 261585906 /nfs/dbraw/zinc/58/59/06/261585906.db2.gz WDYPCWFKNRVOBZ-ZDUSSCGKSA-N 1 2 293.436 3.155 10 30 CGEELO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892706 262406214 /nfs/dbraw/zinc/40/62/14/262406214.db2.gz UOLWAXLOARUULA-ZIAGYGMSSA-N 1 2 282.391 3.228 10 30 CGEELO C[C@H]1COC[C@H](C)[NH+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177288550 327718977 /nfs/dbraw/zinc/71/89/77/327718977.db2.gz WXNJZHKIJBGGKU-STQMWFEESA-N 1 2 297.320 3.166 10 30 CGEELO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1F ZINC000251584432 329931605 /nfs/dbraw/zinc/93/16/05/329931605.db2.gz WQZQYVLKLZFARL-PKFCDNJMSA-N 1 2 250.292 3.308 10 30 CGEELO CC[C@H](C)[C@](C#N)(CC[NH+]1CCOCC1)c1ccccc1 ZINC000031554828 344926681 /nfs/dbraw/zinc/92/66/81/344926681.db2.gz KUSPAVYMGQSRFN-FUHWJXTLSA-N 1 2 286.419 3.216 10 30 CGEELO CC(C)(/C=N/O)/[N+](O)=C/c1ccc(Cl)cc1Cl ZINC000225396643 346303756 /nfs/dbraw/zinc/30/37/56/346303756.db2.gz RSNGGGGWYYRPPJ-IQWFLLFMSA-O 1 2 276.143 3.053 10 30 CGEELO Cc1nc(CNc2cc(C)[nH+]c(C)c2C#N)sc1C ZINC000301785365 201196834 /nfs/dbraw/zinc/19/68/34/201196834.db2.gz OSMMWWAJEDHSNN-UHFFFAOYSA-N 1 2 272.377 3.256 10 30 CGEELO Cc1cc(NCC[C@](C)(O)c2ccccc2)c(C#N)c(C)[nH+]1 ZINC000302411030 201445879 /nfs/dbraw/zinc/44/58/79/201445879.db2.gz LOWFWIGYRLFBGJ-SFHVURJKSA-N 1 2 295.386 3.280 10 30 CGEELO C/C(=[NH+]/NC(=S)Nc1ccc(C)cc1)c1ccc(N)cc1 ZINC000033286484 368960738 /nfs/dbraw/zinc/96/07/38/368960738.db2.gz GAXXTEXSJRZAMB-UNOMPAQXSA-N 1 2 298.415 3.288 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000054825899 369507010 /nfs/dbraw/zinc/50/70/10/369507010.db2.gz PDWONLPSMMCNDY-TVQRCGJNSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000054826352 369507362 /nfs/dbraw/zinc/50/73/62/369507362.db2.gz CCSWOHIQXMGTCK-GWCFXTLKSA-N 1 2 279.181 3.231 10 30 CGEELO Cc1cc(Nc2cnn(C(C)C)c2)c(C#N)c(C)[nH+]1 ZINC000211662940 376134548 /nfs/dbraw/zinc/13/45/48/376134548.db2.gz NEGUQOVWJNNXMW-UHFFFAOYSA-N 1 2 255.325 3.091 10 30 CGEELO Cc1cc(NCc2cccc(C#N)c2)c(C#N)c(C)[nH+]1 ZINC000156837771 525280095 /nfs/dbraw/zinc/28/00/95/525280095.db2.gz WJWSJJRPCFLIEX-UHFFFAOYSA-N 1 2 262.316 3.054 10 30 CGEELO N#C[C@]1(Nc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000037935211 344954356 /nfs/dbraw/zinc/95/43/56/344954356.db2.gz PGANTQUISGXZES-GOSISDBHSA-N 1 2 277.371 3.267 10 30 CGEELO N#C[C@]1(Nc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000037935211 344954357 /nfs/dbraw/zinc/95/43/57/344954357.db2.gz PGANTQUISGXZES-GOSISDBHSA-N 1 2 277.371 3.267 10 30 CGEELO COC(C)(C)C[C@@H](C)[NH2+]c1ccc(OCC#N)cc1 ZINC000034963692 368984136 /nfs/dbraw/zinc/98/41/36/368984136.db2.gz NIGWYPITVJKSSM-GFCCVEGCSA-N 1 2 262.353 3.204 10 30 CGEELO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(Cl)c1OC ZINC000110823281 370388693 /nfs/dbraw/zinc/38/86/93/370388693.db2.gz ZSBJIACNFHMPOS-PWSUYJOCSA-N 1 2 294.782 3.139 10 30 CGEELO Cc1cccc(OCCNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000133752192 371277424 /nfs/dbraw/zinc/27/74/24/371277424.db2.gz UCJMJSQAJRMQBJ-UHFFFAOYSA-N 1 2 281.359 3.369 10 30 CGEELO COCc1cccc(Nc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000133754364 371277666 /nfs/dbraw/zinc/27/76/66/371277666.db2.gz AGBCBZGWYUDHGU-UHFFFAOYSA-N 1 2 267.332 3.460 10 30 CGEELO C[C@H](C#N)N1CCC[C@@H](c2[nH]cc(-c3ccccc3)[nH+]2)C1 ZINC000248456076 377323653 /nfs/dbraw/zinc/32/36/53/377323653.db2.gz LIPPZMDWTMILTI-UKRRQHHQSA-N 1 2 280.375 3.168 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Br)c1F ZINC000394748633 397696048 /nfs/dbraw/zinc/69/60/48/397696048.db2.gz ZLEDPRFNOBWQLA-JOYOIKCWSA-N 1 2 297.171 3.370 10 30 CGEELO C[C@@H](CC#N)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040219111 260138745 /nfs/dbraw/zinc/13/87/45/260138745.db2.gz ZOYPSCMSZOSPKO-LBPRGKRZSA-N 1 2 297.324 3.130 10 30 CGEELO CCN(CC[C@@H](C#N)[NH2+]C(C)C)c1ccc(C)cc1 ZINC000062438430 521155647 /nfs/dbraw/zinc/15/56/47/521155647.db2.gz GYPMAXMVDUDGJP-HNNXBMFYSA-N 1 2 259.397 3.102 10 30 CGEELO CC(C)(C#N)/[N+](O)=C/c1ccc(Cl)cc1Cl ZINC000225396691 346303943 /nfs/dbraw/zinc/30/39/43/346303943.db2.gz MVXCTTNCEYGCME-UUASQNMZSA-N 1 2 258.128 3.116 10 30 CGEELO N#Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616639373 348853636 /nfs/dbraw/zinc/85/36/36/348853636.db2.gz MLNIYQFBKRWJJK-GOSISDBHSA-N 1 2 278.355 3.132 10 30 CGEELO N#Cc1ccc([C@H]2COCC[N@H+]2Cc2ccccc2)cc1 ZINC000616639373 348853638 /nfs/dbraw/zinc/85/36/38/348853638.db2.gz MLNIYQFBKRWJJK-GOSISDBHSA-N 1 2 278.355 3.132 10 30 CGEELO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000104431810 186000627 /nfs/dbraw/zinc/00/06/27/186000627.db2.gz QGYODLUYGJJNNR-CHWSQXEVSA-N 1 2 263.410 3.356 10 30 CGEELO Cc1ncsc1C[N@H+](C)[C@@H]1CCCCC[C@@H]1C#N ZINC000104431810 186000629 /nfs/dbraw/zinc/00/06/29/186000629.db2.gz QGYODLUYGJJNNR-CHWSQXEVSA-N 1 2 263.410 3.356 10 30 CGEELO COc1ccc(CC/[NH+]=C(\C)c2ccccc2O)cc1OC ZINC000108410983 186215173 /nfs/dbraw/zinc/21/51/73/186215173.db2.gz DTTZPBCSBHBWMD-CPNJWEJPSA-N 1 2 299.370 3.461 10 30 CGEELO COc1ccc(CNc2cc(C)[nH+]c(C)c2C#N)cc1F ZINC000301766251 201184868 /nfs/dbraw/zinc/18/48/68/201184868.db2.gz HLWMKZLRTGEALJ-UHFFFAOYSA-N 1 2 285.322 3.330 10 30 CGEELO COc1ccc(NC2=[NH+]CCCS2)cc1Cl ZINC000034971943 368983660 /nfs/dbraw/zinc/98/36/60/368983660.db2.gz FAFISHSGKJTATE-UHFFFAOYSA-N 1 2 256.758 3.063 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000054826263 369507082 /nfs/dbraw/zinc/50/70/82/369507082.db2.gz LAPZOYOZRBYJQM-TVQRCGJNSA-N 1 2 297.171 3.370 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000061891810 369610993 /nfs/dbraw/zinc/61/09/93/369610993.db2.gz VUHMKWGHZDQWGK-NOZJJQNGSA-N 1 2 297.171 3.370 10 30 CGEELO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061892712 369612308 /nfs/dbraw/zinc/61/23/08/369612308.db2.gz YWVZUZCMRAPZHO-GXFFZTMASA-N 1 2 264.756 3.130 10 30 CGEELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116628 372214547 /nfs/dbraw/zinc/21/45/47/372214547.db2.gz PICNPYSFGGRJAL-QGZVFWFLSA-N 1 2 298.365 3.039 10 30 CGEELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC000160116628 372214551 /nfs/dbraw/zinc/21/45/51/372214551.db2.gz PICNPYSFGGRJAL-QGZVFWFLSA-N 1 2 298.365 3.039 10 30 CGEELO Cc1csc([C@H]2CCC[N@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000195402844 376101534 /nfs/dbraw/zinc/10/15/34/376101534.db2.gz IUMMHUKACUPLSO-KBPBESRZSA-N 1 2 288.420 3.074 10 30 CGEELO Cc1csc([C@H]2CCC[N@@H+](C[C@H](C#N)CCC#N)C2)n1 ZINC000195402844 376101539 /nfs/dbraw/zinc/10/15/39/376101539.db2.gz IUMMHUKACUPLSO-KBPBESRZSA-N 1 2 288.420 3.074 10 30 CGEELO Cc1cc(N2C[C@@H]3CCCC[C@H]3C2)c(C#N)c(C)[nH+]1 ZINC000301793104 392598256 /nfs/dbraw/zinc/59/82/56/392598256.db2.gz RSNDVTWCBQYCKC-KBPBESRZSA-N 1 2 255.365 3.197 10 30 CGEELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)o1 ZINC000221122298 393006468 /nfs/dbraw/zinc/00/64/68/393006468.db2.gz SSHOWMCHHXGYJM-SNVBAGLBSA-N 1 2 275.739 3.359 10 30 CGEELO C(#C[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000015769069 170676470 /nfs/dbraw/zinc/67/64/70/170676470.db2.gz RJNDDABDYIZJQS-IBGZPJMESA-N 1 2 277.367 3.112 10 30 CGEELO N#Cc1ccccc1Cn1cc[nH+]c1-c1ccccc1 ZINC000040228380 174208423 /nfs/dbraw/zinc/20/84/23/174208423.db2.gz GCOSFWZVLJTWOS-UHFFFAOYSA-N 1 2 259.312 3.470 10 30 CGEELO C=CCNc1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N ZINC000040704781 174379428 /nfs/dbraw/zinc/37/94/28/174379428.db2.gz BCVAGISCVPZEHK-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO C=CCNc1[nH+]cnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704781 174379430 /nfs/dbraw/zinc/37/94/30/174379430.db2.gz BCVAGISCVPZEHK-UHFFFAOYSA-N 1 2 289.770 3.362 10 30 CGEELO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000160818385 262301374 /nfs/dbraw/zinc/30/13/74/262301374.db2.gz JWDBPJCTUPRICJ-NOZJJQNGSA-N 1 2 252.720 3.261 10 30 CGEELO Cc1cc(NCc2cccc([N+](=O)[O-])c2)c(C#N)c(C)[nH+]1 ZINC000156840812 525280491 /nfs/dbraw/zinc/28/04/91/525280491.db2.gz PZARQKXRECWWJD-UHFFFAOYSA-N 1 2 282.303 3.090 10 30 CGEELO Cc1cc(NCCOc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000133750531 187704267 /nfs/dbraw/zinc/70/42/67/187704267.db2.gz WRDTULOKOJPGDX-UHFFFAOYSA-N 1 2 267.332 3.061 10 30 CGEELO COCCOc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)cc1 ZINC000301762387 201181689 /nfs/dbraw/zinc/18/16/89/201181689.db2.gz GFLCZWMHKXWDQA-UHFFFAOYSA-N 1 2 297.358 3.339 10 30 CGEELO Cc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215180 373979163 /nfs/dbraw/zinc/97/91/63/373979163.db2.gz JCGHSNPNBBBQRL-OAHLLOKOSA-N 1 2 288.372 3.095 10 30 CGEELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)s3)CCO2)o1 ZINC000180215180 373979166 /nfs/dbraw/zinc/97/91/66/373979166.db2.gz JCGHSNPNBBBQRL-OAHLLOKOSA-N 1 2 288.372 3.095 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cscc1Br ZINC000308799758 374179604 /nfs/dbraw/zinc/17/96/04/374179604.db2.gz AAGZWYHWOIQGDA-GZMMTYOYSA-N 1 2 285.210 3.292 10 30 CGEELO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000186249521 392780326 /nfs/dbraw/zinc/78/03/26/392780326.db2.gz YFYKNBNQFCSDJZ-CYBMUJFWSA-N 1 2 288.391 3.029 10 30 CGEELO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000186249521 392780329 /nfs/dbraw/zinc/78/03/29/392780329.db2.gz YFYKNBNQFCSDJZ-CYBMUJFWSA-N 1 2 288.391 3.029 10 30 CGEELO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719219 416522563 /nfs/dbraw/zinc/52/25/63/416522563.db2.gz AINIGKWPNVOHGP-CVEARBPZSA-N 1 2 290.794 3.355 10 30 CGEELO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000228719219 416522568 /nfs/dbraw/zinc/52/25/68/416522568.db2.gz AINIGKWPNVOHGP-CVEARBPZSA-N 1 2 290.794 3.355 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000061891502 369610689 /nfs/dbraw/zinc/61/06/89/369610689.db2.gz KITOIIOLDQAVIL-CMPLNLGQSA-N 1 2 266.291 3.070 10 30 CGEELO COc1cccc(CNc2cc(C)[nH+]c(C)c2C#N)c1 ZINC000133749078 371277448 /nfs/dbraw/zinc/27/74/48/371277448.db2.gz HFOKKDBTZLYCBN-UHFFFAOYSA-N 1 2 267.332 3.191 10 30 CGEELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000333631082 228207451 /nfs/dbraw/zinc/20/74/51/228207451.db2.gz QYMGBXGMJUPGAJ-DGCLKSJQSA-N 1 2 287.388 3.493 10 30 CGEELO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cc1 ZINC000227556488 333285799 /nfs/dbraw/zinc/28/57/99/333285799.db2.gz VTUZHPPEYQRTNI-ZDUSSCGKSA-N 1 2 272.348 3.399 10 30 CGEELO CC[NH2+][C@H](C#N)CCSc1ccc2c(c1)CCC2 ZINC000062456215 520162086 /nfs/dbraw/zinc/16/20/86/520162086.db2.gz KFOVFWUNUJGBBB-AWEZNQCLSA-N 1 2 260.406 3.159 10 30 CGEELO Cc1cc(NCc2ccc(C#N)cc2)c(C#N)c(C)[nH+]1 ZINC000156837627 525279153 /nfs/dbraw/zinc/27/91/53/525279153.db2.gz WFZJCCWSRYBKHZ-UHFFFAOYSA-N 1 2 262.316 3.054 10 30 CGEELO N#Cc1cccc([C@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000616640487 348853932 /nfs/dbraw/zinc/85/39/32/348853932.db2.gz UPPBXCMFMKWYHD-GOSISDBHSA-N 1 2 278.355 3.132 10 30 CGEELO N#Cc1cccc([C@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000616640487 348853934 /nfs/dbraw/zinc/85/39/34/348853934.db2.gz UPPBXCMFMKWYHD-GOSISDBHSA-N 1 2 278.355 3.132 10 30 CGEELO Cc1cc(N(C)Cc2ccc(F)c(F)c2)c(C#N)c(C)[nH+]1 ZINC000301793085 201200191 /nfs/dbraw/zinc/20/01/91/201200191.db2.gz RRIVURUGHCGENL-UHFFFAOYSA-N 1 2 287.313 3.485 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1F ZINC000131750967 371128382 /nfs/dbraw/zinc/12/83/82/371128382.db2.gz UPRNOCOWIFLXKV-TVQRCGJNSA-N 1 2 252.720 3.261 10 30 CGEELO Cc1cc(C(C)(C)C)ccc1OCCC/C(N)=[NH+]/O ZINC000037429017 173199837 /nfs/dbraw/zinc/19/98/37/173199837.db2.gz LUUHXLCHBRGCAP-UHFFFAOYSA-N 1 2 264.369 3.198 10 30 CGEELO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000333631071 228207416 /nfs/dbraw/zinc/20/74/16/228207416.db2.gz QYMGBXGMJUPGAJ-AAEUAGOBSA-N 1 2 287.388 3.493 10 30 CGEELO N#C[C@@]1([NH2+]C2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000037968546 294835848 /nfs/dbraw/zinc/83/58/48/294835848.db2.gz NTJZPCSDBVGAAR-SFHVURJKSA-N 1 2 283.419 3.077 10 30 CGEELO COc1ccc(Nc2cc(C)[nH+]c(C)c2C#N)c(OC)c1 ZINC000156546023 524713461 /nfs/dbraw/zinc/71/34/61/524713461.db2.gz CFOMCUFUEXZTHW-UHFFFAOYSA-N 1 2 283.331 3.331 10 30 CGEELO C[C@@](C#N)(CC[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000031622924 344927558 /nfs/dbraw/zinc/92/75/58/344927558.db2.gz GAHYKZLSBRYVAW-IBGZPJMESA-N 1 2 294.398 3.343 10 30 CGEELO C/[N+](O)=C\CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000140373015 346103697 /nfs/dbraw/zinc/10/36/97/346103697.db2.gz WFKMEQZYNUNEFY-SFQUDFHCSA-N 1 2 254.309 3.029 10 30 CGEELO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000600145995 347784553 /nfs/dbraw/zinc/78/45/53/347784553.db2.gz SYFNBERYELXXKI-QPUJVOFHSA-N 1 2 270.710 3.400 10 30 CGEELO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000054826350 369507227 /nfs/dbraw/zinc/50/72/27/369507227.db2.gz CCSWOHIQXMGTCK-MFKMUULPSA-N 1 2 279.181 3.231 10 30 CGEELO C=C(C)C[C@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000185545465 374684442 /nfs/dbraw/zinc/68/44/42/374684442.db2.gz MJFVKZWYXCYQTR-ZDUSSCGKSA-N 1 2 289.423 3.031 10 30 CGEELO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246393760 131093886 /nfs/dbraw/zinc/09/38/86/131093886.db2.gz OPOZRNKNWXNJCT-IUODEOHRSA-N 1 2 299.399 3.149 10 30 CGEELO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000246393760 131093888 /nfs/dbraw/zinc/09/38/88/131093888.db2.gz OPOZRNKNWXNJCT-IUODEOHRSA-N 1 2 299.399 3.149 10 30 CGEELO Cc1cc(N(C)Cc2ccccc2)c(C#N)c(C)[nH+]1 ZINC000156534551 525029818 /nfs/dbraw/zinc/02/98/18/525029818.db2.gz BIVWTFLBZLTCLS-UHFFFAOYSA-N 1 2 251.333 3.207 10 30 CGEELO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000111405611 345949589 /nfs/dbraw/zinc/94/95/89/345949589.db2.gz VSOVIUBCUYJXSF-YGRLFVJLSA-N 1 2 250.292 3.137 10 30 CGEELO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061892710 369610988 /nfs/dbraw/zinc/61/09/88/369610988.db2.gz YWVZUZCMRAPZHO-ZWNOBZJWSA-N 1 2 264.756 3.130 10 30 CGEELO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000118396166 370613341 /nfs/dbraw/zinc/61/33/41/370613341.db2.gz OPOZRNKNWXNJCT-DOMZBBRYSA-N 1 2 299.399 3.149 10 30 CGEELO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000118396166 370613345 /nfs/dbraw/zinc/61/33/45/370613345.db2.gz OPOZRNKNWXNJCT-DOMZBBRYSA-N 1 2 299.399 3.149 10 30 CGEELO CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000328615752 374371808 /nfs/dbraw/zinc/37/18/08/374371808.db2.gz ZBFMZTVTOKEHGO-HIFRSBDPSA-N 1 2 293.411 3.071 10 30 CGEELO Cc1cc(N2CCc3ccccc3CC2)c(C#N)c(C)[nH+]1 ZINC000156584300 392547580 /nfs/dbraw/zinc/54/75/80/392547580.db2.gz YTDWOHQMARRGDD-UHFFFAOYSA-N 1 2 277.371 3.175 10 30 CGEELO C=CCn1c(CCCCCNC(=O)CC)[nH+]c2ccccc21 ZINC000040211066 174203814 /nfs/dbraw/zinc/20/38/14/174203814.db2.gz WPWRLBIGZUDYRJ-UHFFFAOYSA-N 1 2 299.418 3.461 10 30 CGEELO C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000330150385 534150174 /nfs/dbraw/zinc/15/01/74/534150174.db2.gz NCDGKSQSULRLGM-WFASDCNBSA-N 1 2 299.374 3.348 10 30 CGEELO