smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000023429548 695662047 /nfs/dbraw/zinc/66/20/47/695662047.db2.gz YUILBTFWZQZJIR-INIZCTEOSA-N 2 2 352.463 3.370 50 0 FGAALP NC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000023429548 695662048 /nfs/dbraw/zinc/66/20/48/695662048.db2.gz YUILBTFWZQZJIR-INIZCTEOSA-N 2 2 352.463 3.370 50 0 FGAALP CCCOc1cccc(C[NH2+]C[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1 ZINC000058213546 205261982 /nfs/dbraw/zinc/26/19/82/205261982.db2.gz FRYCJMNGHVWVBR-RBBKRZOGSA-N 2 2 356.510 3.476 50 0 FGAALP Clc1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000064045034 205297463 /nfs/dbraw/zinc/29/74/63/205297463.db2.gz SYIXRAYAUSEKGB-UHFFFAOYSA-N 2 2 355.829 3.107 50 0 FGAALP Cc1ccsc1[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1O ZINC000065506883 205356483 /nfs/dbraw/zinc/35/64/83/205356483.db2.gz PKULFVQIMZTEDJ-WOJBJXKFSA-N 2 2 371.550 3.266 50 0 FGAALP Cc1ccsc1[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1O ZINC000065506883 205356487 /nfs/dbraw/zinc/35/64/87/205356487.db2.gz PKULFVQIMZTEDJ-WOJBJXKFSA-N 2 2 371.550 3.266 50 0 FGAALP Cc1[nH+]cc(C[NH+]2CCC3(CCN(C(=O)OCC(C)C)CC3)CC2)n1C ZINC000072132022 205474838 /nfs/dbraw/zinc/47/48/38/205474838.db2.gz DQSLWGBOUBAZIA-UHFFFAOYSA-N 2 2 362.518 3.199 50 0 FGAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)o1 ZINC000215845613 206351688 /nfs/dbraw/zinc/35/16/88/206351688.db2.gz WOKPUXCWINROIM-HNNXBMFYSA-N 2 2 372.498 3.201 50 0 FGAALP Cn1cnnc1Sc1ccc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)o1 ZINC000215845613 206351692 /nfs/dbraw/zinc/35/16/92/206351692.db2.gz WOKPUXCWINROIM-HNNXBMFYSA-N 2 2 372.498 3.201 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091781290 132204118 /nfs/dbraw/zinc/20/41/18/132204118.db2.gz BSNALJAAPNDZRR-GOSISDBHSA-N 2 2 362.481 3.371 50 0 FGAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ncnc3c(C)csc32)CC1 ZINC000095530779 132215032 /nfs/dbraw/zinc/21/50/32/132215032.db2.gz RVMJQIWUKVKGCG-OAHLLOKOSA-N 2 2 370.526 3.233 50 0 FGAALP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058391743 136131763 /nfs/dbraw/zinc/13/17/63/136131763.db2.gz OBIBDCYKDRLDPL-IBGZPJMESA-N 2 2 370.541 3.069 50 0 FGAALP C[NH+](C)C[C@@]1(O)CCCN(c2cc[nH+]c3c2cccc3C(F)(F)F)C1 ZINC000072424255 136146286 /nfs/dbraw/zinc/14/62/86/136146286.db2.gz NWLGOYFMJNBEAK-KRWDZBQOSA-N 2 2 353.388 3.147 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776736 494015601 /nfs/dbraw/zinc/01/56/01/494015601.db2.gz TXZALYAHZCLKKT-KRWDZBQOSA-N 2 2 370.522 3.019 50 0 FGAALP O=C(CC[N@H+]1CCC[C@H]1c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776736 494015606 /nfs/dbraw/zinc/01/56/06/494015606.db2.gz TXZALYAHZCLKKT-KRWDZBQOSA-N 2 2 370.522 3.019 50 0 FGAALP O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077298364 494050800 /nfs/dbraw/zinc/05/08/00/494050800.db2.gz SBFWLRBTPZTNJL-FQEVSTJZSA-N 2 2 366.509 3.418 50 0 FGAALP OCCOc1cccc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000077320893 494056450 /nfs/dbraw/zinc/05/64/50/494056450.db2.gz DRSDPTOVCLUDSZ-GOSISDBHSA-N 2 2 365.477 3.389 50 0 FGAALP OCCOc1cccc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000077320893 494056452 /nfs/dbraw/zinc/05/64/52/494056452.db2.gz DRSDPTOVCLUDSZ-GOSISDBHSA-N 2 2 365.477 3.389 50 0 FGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000034798141 494069405 /nfs/dbraw/zinc/06/94/05/494069405.db2.gz PBVBLWGOTUUFQO-FQEVSTJZSA-N 2 2 366.440 3.093 50 0 FGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCCC1 ZINC000071750821 494098624 /nfs/dbraw/zinc/09/86/24/494098624.db2.gz XYUMAHCFAKLYGM-QGZVFWFLSA-N 2 2 361.555 3.047 50 0 FGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCCC1 ZINC000071750821 494098626 /nfs/dbraw/zinc/09/86/26/494098626.db2.gz XYUMAHCFAKLYGM-QGZVFWFLSA-N 2 2 361.555 3.047 50 0 FGAALP CCCCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759353 494099019 /nfs/dbraw/zinc/09/90/19/494099019.db2.gz NCAABFIWFWJWJU-FQEVSTJZSA-N 2 2 372.557 3.064 50 0 FGAALP CCCCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759353 494099024 /nfs/dbraw/zinc/09/90/24/494099024.db2.gz NCAABFIWFWJWJU-FQEVSTJZSA-N 2 2 372.557 3.064 50 0 FGAALP CCOC1CC[NH+](Cc2cc3n(n2)CCC[N@H+](CCC(F)(F)F)C3)CC1 ZINC000072158489 494138386 /nfs/dbraw/zinc/13/83/86/494138386.db2.gz OTSUNKZPBADMNH-UHFFFAOYSA-N 2 2 374.451 3.042 50 0 FGAALP CCOC1CC[NH+](Cc2cc3n(n2)CCC[N@@H+](CCC(F)(F)F)C3)CC1 ZINC000072158489 494138389 /nfs/dbraw/zinc/13/83/89/494138389.db2.gz OTSUNKZPBADMNH-UHFFFAOYSA-N 2 2 374.451 3.042 50 0 FGAALP Cc1nc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072167023 494142041 /nfs/dbraw/zinc/14/20/41/494142041.db2.gz ICEHFGPKBGBXPT-CWFSZBLJSA-N 2 2 356.420 3.130 50 0 FGAALP Cc1cc(C[NH+]2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)n[nH]1 ZINC000011664083 494184906 /nfs/dbraw/zinc/18/49/06/494184906.db2.gz SIBLJMHFCNXVDK-NRFANRHFSA-N 2 2 352.526 3.495 50 0 FGAALP Cc1cc(C[NH+]2CCC([C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n[nH]1 ZINC000011664083 494184911 /nfs/dbraw/zinc/18/49/11/494184911.db2.gz SIBLJMHFCNXVDK-NRFANRHFSA-N 2 2 352.526 3.495 50 0 FGAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012305253 494221495 /nfs/dbraw/zinc/22/14/95/494221495.db2.gz FLBYRMVPRFVGMY-HXUWFJFHSA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012305253 494221499 /nfs/dbraw/zinc/22/14/99/494221499.db2.gz FLBYRMVPRFVGMY-HXUWFJFHSA-N 2 2 370.541 3.298 50 0 FGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000012442212 494233661 /nfs/dbraw/zinc/23/36/61/494233661.db2.gz MBJUWEFAXUSOIM-QSVDNLTKSA-N 2 2 373.585 3.268 50 0 FGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000012442212 494233667 /nfs/dbraw/zinc/23/36/67/494233667.db2.gz MBJUWEFAXUSOIM-QSVDNLTKSA-N 2 2 373.585 3.268 50 0 FGAALP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cnn1C ZINC000015073870 494336762 /nfs/dbraw/zinc/33/67/62/494336762.db2.gz MDDCJXHFLOVJGZ-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cnn1C ZINC000015073870 494336764 /nfs/dbraw/zinc/33/67/64/494336764.db2.gz MDDCJXHFLOVJGZ-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cnn1C ZINC000015073870 494336766 /nfs/dbraw/zinc/33/67/66/494336766.db2.gz MDDCJXHFLOVJGZ-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cnn1C ZINC000015073870 494336768 /nfs/dbraw/zinc/33/67/68/494336768.db2.gz MDDCJXHFLOVJGZ-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C2CCCCCC2)CC1 ZINC000091655911 494637119 /nfs/dbraw/zinc/63/71/19/494637119.db2.gz GSCBZSMVHQWNOY-UHFFFAOYSA-N 2 2 356.518 3.445 50 0 FGAALP O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1CCc1c[nH+]c[nH]1 ZINC000091915362 494720795 /nfs/dbraw/zinc/72/07/95/494720795.db2.gz OOZAQHHGGGGOAC-SFHVURJKSA-N 2 2 356.514 3.013 50 0 FGAALP O=C1CCC2(CC[NH+](C[C@H]3CC=CCC3)CC2)CN1CCc1c[nH]c[nH+]1 ZINC000091915362 494720801 /nfs/dbraw/zinc/72/08/01/494720801.db2.gz OOZAQHHGGGGOAC-SFHVURJKSA-N 2 2 356.514 3.013 50 0 FGAALP OC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000092081482 494784486 /nfs/dbraw/zinc/78/44/86/494784486.db2.gz GKTHZOHNTVZFMC-IAGOWNOFSA-N 2 2 356.432 3.232 50 0 FGAALP OC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000092081482 494784488 /nfs/dbraw/zinc/78/44/88/494784488.db2.gz GKTHZOHNTVZFMC-IAGOWNOFSA-N 2 2 356.432 3.232 50 0 FGAALP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(OC)cc[nH+]2)C3)cc1 ZINC000095385224 494972131 /nfs/dbraw/zinc/97/21/31/494972131.db2.gz CPWFGSMTLDHGRG-AZUAARDMSA-N 2 2 367.493 3.195 50 0 FGAALP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cc(OC)cc[nH+]2)C3)cc1 ZINC000095385224 494972132 /nfs/dbraw/zinc/97/21/32/494972132.db2.gz CPWFGSMTLDHGRG-AZUAARDMSA-N 2 2 367.493 3.195 50 0 FGAALP O[C@H](COc1ccc(Cl)cc1C[NH+]1CCC1)C[NH+]1CCCCCC1 ZINC000095497745 494980528 /nfs/dbraw/zinc/98/05/28/494980528.db2.gz DGHFHBXLMBOCMJ-SFHVURJKSA-N 2 2 352.906 3.161 50 0 FGAALP Cc1cn2c(nc(C[N@@H+]3CCCC[C@H]3CCn3cc[nH+]c3C)cc2=O)s1 ZINC000252494848 497306043 /nfs/dbraw/zinc/30/60/43/497306043.db2.gz OGMCHOWLKMAKLU-KRWDZBQOSA-N 2 2 371.510 3.014 50 0 FGAALP Cc1cn2c(nc(C[N@H+]3CCCC[C@H]3CCn3cc[nH+]c3C)cc2=O)s1 ZINC000252494848 497306046 /nfs/dbraw/zinc/30/60/46/497306046.db2.gz OGMCHOWLKMAKLU-KRWDZBQOSA-N 2 2 371.510 3.014 50 0 FGAALP Cc1ccc2[nH+]c(CCCNc3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)[nH]c2c1C ZINC000244893016 497373604 /nfs/dbraw/zinc/37/36/04/497373604.db2.gz YTUUDPMNVYOXPB-GASCZTMLSA-N 2 2 350.470 3.219 50 0 FGAALP Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CC[NH2+]CCO)cc1 ZINC000020874244 524631548 /nfs/dbraw/zinc/63/15/48/524631548.db2.gz NDMMLLFIFUWTLM-UHFFFAOYSA-N 2 2 364.489 3.399 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000020202359 527392936 /nfs/dbraw/zinc/39/29/36/527392936.db2.gz UMDSYNFFJJJEHU-INIZCTEOSA-N 2 2 357.502 3.401 50 0 FGAALP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000079930334 570574614 /nfs/dbraw/zinc/57/46/14/570574614.db2.gz MLHMJHADPQLYGS-UHFFFAOYSA-N 2 2 351.454 3.127 50 0 FGAALP Clc1ccccc1-n1ncc2c1nc[nH+]c2NCCCn1cc[nH+]c1 ZINC000035586173 204995050 /nfs/dbraw/zinc/99/50/50/204995050.db2.gz MWJFNVSNCVTXCD-UHFFFAOYSA-N 2 2 353.817 3.168 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000040719545 205076985 /nfs/dbraw/zinc/07/69/85/205076985.db2.gz OGGORVFEUKXARD-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP CN(C)c1[nH+]cccc1CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000055108964 205206838 /nfs/dbraw/zinc/20/68/38/205206838.db2.gz KIPDVYOQNTURNK-IBGZPJMESA-N 2 2 370.472 3.130 50 0 FGAALP COc1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c(C)o2)c2ccccc12 ZINC000067817319 205393859 /nfs/dbraw/zinc/39/38/59/205393859.db2.gz FRVQUNNGYFBWBR-IYBDPMFKSA-N 2 2 363.461 3.463 50 0 FGAALP COc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c(C)o2)c2ccccc12 ZINC000067817319 205393863 /nfs/dbraw/zinc/39/38/63/205393863.db2.gz FRVQUNNGYFBWBR-IYBDPMFKSA-N 2 2 363.461 3.463 50 0 FGAALP Fc1ccc([C@H]2CC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000215417466 206345781 /nfs/dbraw/zinc/34/57/81/206345781.db2.gz BAQUWDSPUDQREB-JOCHJYFZSA-N 2 2 370.468 3.484 50 0 FGAALP Fc1ccc([C@H]2CC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000215417466 206345785 /nfs/dbraw/zinc/34/57/85/206345785.db2.gz BAQUWDSPUDQREB-JOCHJYFZSA-N 2 2 370.468 3.484 50 0 FGAALP Fc1ccc2nc(C[N@@H+]3CCCO[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208253 206357016 /nfs/dbraw/zinc/35/70/16/206357016.db2.gz RVQJYNIPJJSJDU-HXUWFJFHSA-N 2 2 357.473 3.451 50 0 FGAALP Fc1ccc2nc(C[N@H+]3CCCO[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208253 206357020 /nfs/dbraw/zinc/35/70/20/206357020.db2.gz RVQJYNIPJJSJDU-HXUWFJFHSA-N 2 2 357.473 3.451 50 0 FGAALP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000076046878 493812427 /nfs/dbraw/zinc/81/24/27/493812427.db2.gz RDTZQVNBGNDWMR-LBPRGKRZSA-N 2 2 374.312 3.021 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000077452519 494085795 /nfs/dbraw/zinc/08/57/95/494085795.db2.gz CTKVPSCMBGPJEC-UHFFFAOYSA-N 2 2 363.456 3.017 50 0 FGAALP Cc1cc(F)cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071614021 494094003 /nfs/dbraw/zinc/09/40/03/494094003.db2.gz LZVJPPKEAQQZKM-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(F)cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071614021 494094008 /nfs/dbraw/zinc/09/40/08/494094008.db2.gz LZVJPPKEAQQZKM-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP CCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071776012 494100317 /nfs/dbraw/zinc/10/03/17/494100317.db2.gz FVAHRKDQODJHQS-LJQANCHMSA-N 2 2 372.557 3.063 50 0 FGAALP CCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071776012 494100320 /nfs/dbraw/zinc/10/03/20/494100320.db2.gz FVAHRKDQODJHQS-LJQANCHMSA-N 2 2 372.557 3.063 50 0 FGAALP c1cn(-c2ccc(C[NH+]3CCN(c4ncnc5ccccc54)CC3)cc2)c[nH+]1 ZINC000072144642 494133087 /nfs/dbraw/zinc/13/30/87/494133087.db2.gz QBSVXTMQTKOKNP-UHFFFAOYSA-N 2 2 370.460 3.138 50 0 FGAALP C[C@H](C[NH+]1CCCCC1)C(=O)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181085 494177839 /nfs/dbraw/zinc/17/78/39/494177839.db2.gz BBASCHXLLARCPD-GOSISDBHSA-N 2 2 359.514 3.211 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)s1 ZINC000072479914 494182091 /nfs/dbraw/zinc/18/20/91/494182091.db2.gz FJGCYEWHCFJOMY-INIZCTEOSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)s1 ZINC000072479914 494182096 /nfs/dbraw/zinc/18/20/96/494182096.db2.gz FJGCYEWHCFJOMY-INIZCTEOSA-N 2 2 359.543 3.160 50 0 FGAALP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000091441197 494598950 /nfs/dbraw/zinc/59/89/50/494598950.db2.gz OGJZGVUQDACGSB-WIYYLYMNSA-N 2 2 364.493 3.375 50 0 FGAALP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000091441197 494598956 /nfs/dbraw/zinc/59/89/56/494598956.db2.gz OGJZGVUQDACGSB-WIYYLYMNSA-N 2 2 364.493 3.375 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000091859891 494708207 /nfs/dbraw/zinc/70/82/07/494708207.db2.gz RDTJJOJOGXDNPU-UHFFFAOYSA-N 2 2 366.509 3.006 50 0 FGAALP Cc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095372544 494967507 /nfs/dbraw/zinc/96/75/07/494967507.db2.gz QVMQROUUGTXSLG-IBGZPJMESA-N 2 2 368.525 3.471 50 0 FGAALP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)n1 ZINC000095465158 494977529 /nfs/dbraw/zinc/97/75/29/494977529.db2.gz BBNXDQKTAODJIF-UHFFFAOYSA-N 2 2 363.465 3.038 50 0 FGAALP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)n1 ZINC000095465158 494977531 /nfs/dbraw/zinc/97/75/31/494977531.db2.gz BBNXDQKTAODJIF-UHFFFAOYSA-N 2 2 363.465 3.038 50 0 FGAALP Cc1c[nH]c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)c(C)c1=O ZINC000095519921 494985202 /nfs/dbraw/zinc/98/52/02/494985202.db2.gz GKXWDJCOBPOYBG-HXUWFJFHSA-N 2 2 365.521 3.446 50 0 FGAALP Cc1c[nH]c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)c(C)c1=O ZINC000095519921 494985204 /nfs/dbraw/zinc/98/52/04/494985204.db2.gz GKXWDJCOBPOYBG-HXUWFJFHSA-N 2 2 365.521 3.446 50 0 FGAALP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000170091635 496718880 /nfs/dbraw/zinc/71/88/80/496718880.db2.gz GRJNPEFJBZCTGU-HKUYNNGSSA-N 2 2 359.514 3.005 50 0 FGAALP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000170091635 496718881 /nfs/dbraw/zinc/71/88/81/496718881.db2.gz GRJNPEFJBZCTGU-HKUYNNGSSA-N 2 2 359.514 3.005 50 0 FGAALP C[NH+](C)CCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000261492392 497414996 /nfs/dbraw/zinc/41/49/96/497414996.db2.gz WYMACOUYBVOKGD-UHFFFAOYSA-N 2 2 367.472 3.174 50 0 FGAALP Cc1c[nH+]c(-c2ccncc2)n1CC1C[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000575549725 505980232 /nfs/dbraw/zinc/98/02/32/505980232.db2.gz MQIOAAHLPUXYFM-UHFFFAOYSA-N 2 2 360.461 3.320 50 0 FGAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000020536209 526826866 /nfs/dbraw/zinc/82/68/66/526826866.db2.gz MVUZQLYQFMNJET-AWEZNQCLSA-N 2 2 356.451 3.331 50 0 FGAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccco2)s1 ZINC000020536209 526826870 /nfs/dbraw/zinc/82/68/70/526826870.db2.gz MVUZQLYQFMNJET-AWEZNQCLSA-N 2 2 356.451 3.331 50 0 FGAALP Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654183 205379614 /nfs/dbraw/zinc/37/96/14/205379614.db2.gz IMRCHOCEISRHLG-OAQYLSRUSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654183 205379618 /nfs/dbraw/zinc/37/96/18/205379618.db2.gz IMRCHOCEISRHLG-OAQYLSRUSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654183 205379623 /nfs/dbraw/zinc/37/96/23/205379623.db2.gz IMRCHOCEISRHLG-OAQYLSRUSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654183 205379628 /nfs/dbraw/zinc/37/96/28/205379628.db2.gz IMRCHOCEISRHLG-OAQYLSRUSA-N 2 2 354.473 3.412 50 0 FGAALP CC[NH+](CC)CCC[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002269602 206154447 /nfs/dbraw/zinc/15/44/47/206154447.db2.gz ALROGTTVTJDJDB-UHFFFAOYSA-N 2 2 353.510 3.214 50 0 FGAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1(c2ccccc2)CCC1 ZINC000171641267 206281798 /nfs/dbraw/zinc/28/17/98/206281798.db2.gz HUQVPRLZAPBTKJ-SFHVURJKSA-N 2 2 364.493 3.011 50 0 FGAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1(c2ccccc2)CCC1 ZINC000171641267 206281804 /nfs/dbraw/zinc/28/18/04/206281804.db2.gz HUQVPRLZAPBTKJ-SFHVURJKSA-N 2 2 364.493 3.011 50 0 FGAALP CN(C(=O)c1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215457669 206348495 /nfs/dbraw/zinc/34/84/95/206348495.db2.gz WQUJSWWVOLZYCM-FQEVSTJZSA-N 2 2 360.461 3.423 50 0 FGAALP CN(C(=O)c1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215457669 206348501 /nfs/dbraw/zinc/34/85/01/206348501.db2.gz WQUJSWWVOLZYCM-FQEVSTJZSA-N 2 2 360.461 3.423 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000077521039 132188916 /nfs/dbraw/zinc/18/89/16/132188916.db2.gz XAAXGQAVWMLFKH-UHFFFAOYSA-N 2 2 364.497 3.292 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC000095354476 132207179 /nfs/dbraw/zinc/20/71/79/132207179.db2.gz XLVDXHIZIDISPJ-LJQANCHMSA-N 3 2 367.541 3.493 50 0 FGAALP c1cc2c(nc[nH+]c2N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)[nH]1 ZINC000095371523 132208614 /nfs/dbraw/zinc/20/86/14/132208614.db2.gz ISLHOXXRVVWSMZ-ZDUSSCGKSA-N 2 2 365.466 3.043 50 0 FGAALP C[N@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cnc(N2CCCCC2)nc1 ZINC000215336960 132269846 /nfs/dbraw/zinc/26/98/46/132269846.db2.gz HXIYNIBMKZHRGG-UHFFFAOYSA-N 2 2 351.498 3.044 50 0 FGAALP C[N@@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cnc(N2CCCCC2)nc1 ZINC000215336960 132269847 /nfs/dbraw/zinc/26/98/47/132269847.db2.gz HXIYNIBMKZHRGG-UHFFFAOYSA-N 2 2 351.498 3.044 50 0 FGAALP C[NH+](Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cnc(N2CCCCC2)nc1 ZINC000215336960 132269849 /nfs/dbraw/zinc/26/98/49/132269849.db2.gz HXIYNIBMKZHRGG-UHFFFAOYSA-N 2 2 351.498 3.044 50 0 FGAALP C[NH+](Cc1ccc2c(c1)C[N@H+](C)C2)Cc1cnc(N2CCCCC2)nc1 ZINC000215336960 132269850 /nfs/dbraw/zinc/26/98/50/132269850.db2.gz HXIYNIBMKZHRGG-UHFFFAOYSA-N 2 2 351.498 3.044 50 0 FGAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071385575 494091636 /nfs/dbraw/zinc/09/16/36/494091636.db2.gz MPICIHTVMZKRTF-SFHVURJKSA-N 2 2 373.541 3.141 50 0 FGAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071385575 494091641 /nfs/dbraw/zinc/09/16/41/494091641.db2.gz MPICIHTVMZKRTF-SFHVURJKSA-N 2 2 373.541 3.141 50 0 FGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000012442210 494233863 /nfs/dbraw/zinc/23/38/63/494233863.db2.gz MBJUWEFAXUSOIM-LIPMQLJGSA-N 2 2 373.585 3.268 50 0 FGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)CC1 ZINC000012442210 494233866 /nfs/dbraw/zinc/23/38/66/494233866.db2.gz MBJUWEFAXUSOIM-LIPMQLJGSA-N 2 2 373.585 3.268 50 0 FGAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCCCc3ccccc3)C2)CC1 ZINC000014966846 494331556 /nfs/dbraw/zinc/33/15/56/494331556.db2.gz UDOGRLYOFMVQBJ-FQEVSTJZSA-N 2 2 357.542 3.074 50 0 FGAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCCCc3ccccc3)C2)CC1 ZINC000014966846 494331561 /nfs/dbraw/zinc/33/15/61/494331561.db2.gz UDOGRLYOFMVQBJ-FQEVSTJZSA-N 2 2 357.542 3.074 50 0 FGAALP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cnn1C ZINC000015073871 494336944 /nfs/dbraw/zinc/33/69/44/494336944.db2.gz MDDCJXHFLOVJGZ-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cnn1C ZINC000015073871 494336948 /nfs/dbraw/zinc/33/69/48/494336948.db2.gz MDDCJXHFLOVJGZ-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cnn1C ZINC000015073871 494336950 /nfs/dbraw/zinc/33/69/50/494336950.db2.gz MDDCJXHFLOVJGZ-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cnn1C ZINC000015073871 494336954 /nfs/dbraw/zinc/33/69/54/494336954.db2.gz MDDCJXHFLOVJGZ-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)s1 ZINC000091381472 494592858 /nfs/dbraw/zinc/59/28/58/494592858.db2.gz MLVUMFFINFJCPD-UHFFFAOYSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)s1 ZINC000091381472 494592864 /nfs/dbraw/zinc/59/28/64/494592864.db2.gz MLVUMFFINFJCPD-UHFFFAOYSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc2[nH]c(CCCN3CC4(CC[NH2+]CC4)CCC3=O)[nH+]c2c1C ZINC000091663079 494637651 /nfs/dbraw/zinc/63/76/51/494637651.db2.gz YGFIYFLCPNSWDB-UHFFFAOYSA-N 2 2 354.498 3.105 50 0 FGAALP Cc1cc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c(C)o1 ZINC000095371592 494967399 /nfs/dbraw/zinc/96/73/99/494967399.db2.gz GIFDVRWHUJSLDR-UHFFFAOYSA-N 2 2 358.486 3.064 50 0 FGAALP CCc1[nH]c2ccc(NC(=O)NC[C@@H](c3ccc(C)o3)[NH+](C)C)cc2[nH+]1 ZINC000096180878 495006804 /nfs/dbraw/zinc/00/68/04/495006804.db2.gz FHKKNXJMJQVTEU-INIZCTEOSA-N 2 2 355.442 3.451 50 0 FGAALP CC[C@H](C(=O)NCc1cn2c(cccc2C)[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000225803480 497076024 /nfs/dbraw/zinc/07/60/24/497076024.db2.gz VQUUYIJINHVJAL-LJQANCHMSA-N 2 2 350.466 3.170 50 0 FGAALP CC[C@H](C(=O)NCc1cn2c(cccc2C)[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000225803480 497076029 /nfs/dbraw/zinc/07/60/29/497076029.db2.gz VQUUYIJINHVJAL-LJQANCHMSA-N 2 2 350.466 3.170 50 0 FGAALP C[N@@H+]1CCN(C(=O)c2cccc(-c3ccc4c[nH+]c(N)cc4c3)c2)CC1(C)C ZINC000534657421 504206846 /nfs/dbraw/zinc/20/68/46/504206846.db2.gz VTGKMEOMCGQLTN-UHFFFAOYSA-N 2 2 374.488 3.481 50 0 FGAALP C[N@H+]1CCN(C(=O)c2cccc(-c3ccc4c[nH+]c(N)cc4c3)c2)CC1(C)C ZINC000534657421 504206855 /nfs/dbraw/zinc/20/68/55/504206855.db2.gz VTGKMEOMCGQLTN-UHFFFAOYSA-N 2 2 374.488 3.481 50 0 FGAALP O=C(NCC[NH+]1CCCCC1)c1cccc(-c2c[nH+]c3ccc(F)cn32)c1 ZINC000584891163 507558600 /nfs/dbraw/zinc/55/86/00/507558600.db2.gz MQYAAORJBWPBLT-UHFFFAOYSA-N 2 2 366.440 3.356 50 0 FGAALP O=C(NCCn1cc[nH+]c1)c1ccc([C@@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000020601620 526474017 /nfs/dbraw/zinc/47/40/17/526474017.db2.gz BYUMNNBLMWJPDB-INIZCTEOSA-N 2 2 358.511 3.454 50 0 FGAALP O=C(NCCn1cc[nH+]c1)c1ccc([C@@H]2CCC[N@H+]2C2CCCC2)s1 ZINC000020601620 526474019 /nfs/dbraw/zinc/47/40/19/526474019.db2.gz BYUMNNBLMWJPDB-INIZCTEOSA-N 2 2 358.511 3.454 50 0 FGAALP NC(=O)c1cccc(C[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000091460491 527081334 /nfs/dbraw/zinc/08/13/34/527081334.db2.gz MWZBCBXCZYSBQC-LJQANCHMSA-N 2 2 360.461 3.036 50 0 FGAALP NC(=O)c1cccc(C[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000091460491 527081342 /nfs/dbraw/zinc/08/13/42/527081342.db2.gz MWZBCBXCZYSBQC-LJQANCHMSA-N 2 2 360.461 3.036 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000095506217 536020589 /nfs/dbraw/zinc/02/05/89/536020589.db2.gz FEJMBGZJHIILRJ-UHFFFAOYSA-N 2 2 358.461 3.124 50 0 FGAALP Cc1cc(-c2ccc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)cc2)c[nH+]c1N ZINC000426389231 571218925 /nfs/dbraw/zinc/21/89/25/571218925.db2.gz HXGZZIGGJOVSQM-UHFFFAOYSA-N 2 2 363.465 3.254 50 0 FGAALP CCCc1cn(C2CC[NH+](C3CC[NH+](Cc4ccco4)CC3)CC2)nn1 ZINC000048155843 205152000 /nfs/dbraw/zinc/15/20/00/205152000.db2.gz JFMNQIPRQSINTE-UHFFFAOYSA-N 2 2 357.502 3.125 50 0 FGAALP CCCc1nc(N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000091997901 205709353 /nfs/dbraw/zinc/70/93/53/205709353.db2.gz MWHRRWRGVQKCPO-RBUKOAKNSA-N 2 2 354.498 3.280 50 0 FGAALP Cc1nc(NCCC2CC[NH+](C3CCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219816245 206390168 /nfs/dbraw/zinc/39/01/68/206390168.db2.gz VPCPUVSDCDQZHP-UHFFFAOYSA-N 2 2 358.530 3.480 50 0 FGAALP Nc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Sc2cccs2)[nH+]1 ZINC000077390660 132183171 /nfs/dbraw/zinc/18/31/71/132183171.db2.gz IFDKJZFZSZBGBL-NSHDSACASA-N 2 2 358.496 3.379 50 0 FGAALP CCCc1cc(N2CCC([NH2+]CCNc3cc(C)ccn3)CC2)nc(C)[nH+]1 ZINC000096140608 132220493 /nfs/dbraw/zinc/22/04/93/132220493.db2.gz MWUHVXJJAMKURH-UHFFFAOYSA-N 2 2 368.529 3.111 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000077378097 494070163 /nfs/dbraw/zinc/07/01/63/494070163.db2.gz ZQXYZKBNLMQCOP-UHFFFAOYSA-N 2 2 373.932 3.444 50 0 FGAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077387108 494073573 /nfs/dbraw/zinc/07/35/73/494073573.db2.gz CDSYGPWRJXZCPP-HXUWFJFHSA-N 2 2 363.465 3.462 50 0 FGAALP c1cn(Cc2ccc(N3CCC[N@@H+](C4Cc5ccccc5C4)CC3)nc2)c[nH+]1 ZINC000077420805 494079766 /nfs/dbraw/zinc/07/97/66/494079766.db2.gz PXIJDWNZKFGQQE-UHFFFAOYSA-N 2 2 373.504 3.006 50 0 FGAALP c1cn(Cc2ccc(N3CCC[N@H+](C4Cc5ccccc5C4)CC3)nc2)c[nH+]1 ZINC000077420805 494079771 /nfs/dbraw/zinc/07/97/71/494079771.db2.gz PXIJDWNZKFGQQE-UHFFFAOYSA-N 2 2 373.504 3.006 50 0 FGAALP CCC(CC)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760206 494099593 /nfs/dbraw/zinc/09/95/93/494099593.db2.gz HCLZDEWZXAAVCL-IBGZPJMESA-N 2 2 372.557 3.063 50 0 FGAALP CCC(CC)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760206 494099597 /nfs/dbraw/zinc/09/95/97/494099597.db2.gz HCLZDEWZXAAVCL-IBGZPJMESA-N 2 2 372.557 3.063 50 0 FGAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072428982 494172367 /nfs/dbraw/zinc/17/23/67/494172367.db2.gz FYOAKFAPKRMAHX-SFHVURJKSA-N 2 2 371.504 3.238 50 0 FGAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072428982 494172369 /nfs/dbraw/zinc/17/23/69/494172369.db2.gz FYOAKFAPKRMAHX-SFHVURJKSA-N 2 2 371.504 3.238 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000072429752 494172658 /nfs/dbraw/zinc/17/26/58/494172658.db2.gz JDFWYADUUXXKED-KRWDZBQOSA-N 2 2 357.502 3.082 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000072429752 494172662 /nfs/dbraw/zinc/17/26/62/494172662.db2.gz JDFWYADUUXXKED-KRWDZBQOSA-N 2 2 357.502 3.082 50 0 FGAALP c1ccc(N2CCN(c3ncccc3C[NH2+]C[C@H]3CC=CCC3)CC2)[nH+]c1 ZINC000011817630 494192219 /nfs/dbraw/zinc/19/22/19/494192219.db2.gz AGHYLUHORIKRFO-IBGZPJMESA-N 2 2 363.509 3.249 50 0 FGAALP Cc1c(Cl)cccc1C(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091270491 494577027 /nfs/dbraw/zinc/57/70/27/494577027.db2.gz OXYCZLDNSWDUEL-UHFFFAOYSA-N 2 2 374.916 3.426 50 0 FGAALP O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)N1CC1CCC1 ZINC000095362509 494964660 /nfs/dbraw/zinc/96/46/60/494964660.db2.gz OORGUQCHHROHPH-PZJWPPBQSA-N 2 2 364.493 3.095 50 0 FGAALP O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)N1CC1CCC1 ZINC000095362509 494964663 /nfs/dbraw/zinc/96/46/63/494964663.db2.gz OORGUQCHHROHPH-PZJWPPBQSA-N 2 2 364.493 3.095 50 0 FGAALP Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c(C)o1 ZINC000095501598 494981705 /nfs/dbraw/zinc/98/17/05/494981705.db2.gz WZWQZCWYDQCRAA-KRWDZBQOSA-N 2 2 358.486 3.064 50 0 FGAALP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000097162624 495026156 /nfs/dbraw/zinc/02/61/56/495026156.db2.gz HQIQWRAGIJYMFE-UHFFFAOYSA-N 2 2 363.303 3.127 50 0 FGAALP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000097162624 495026160 /nfs/dbraw/zinc/02/61/60/495026160.db2.gz HQIQWRAGIJYMFE-UHFFFAOYSA-N 2 2 363.303 3.127 50 0 FGAALP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000215189411 496979382 /nfs/dbraw/zinc/97/93/82/496979382.db2.gz FXYKSXWISOTEJA-SFHVURJKSA-N 2 2 370.493 3.499 50 0 FGAALP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000215189411 496979385 /nfs/dbraw/zinc/97/93/85/496979385.db2.gz FXYKSXWISOTEJA-SFHVURJKSA-N 2 2 370.493 3.499 50 0 FGAALP CCn1c2ccccc2[nH+]c1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C)n1 ZINC000252536295 497310906 /nfs/dbraw/zinc/31/09/06/497310906.db2.gz IBWVLGMOLAEKLY-SHTZXODSSA-N 2 2 350.470 3.014 50 0 FGAALP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289102707 498016881 /nfs/dbraw/zinc/01/68/81/498016881.db2.gz CHIPPTYHOVQXGR-LJQANCHMSA-N 2 2 355.457 3.471 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000082108817 527166090 /nfs/dbraw/zinc/16/60/90/527166090.db2.gz FNURSBGVRJFBJY-SFHVURJKSA-N 2 2 356.514 3.314 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000082108817 527166097 /nfs/dbraw/zinc/16/60/97/527166097.db2.gz FNURSBGVRJFBJY-SFHVURJKSA-N 2 2 356.514 3.314 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccc3nsnc3c2)CC1 ZINC000095521508 536020051 /nfs/dbraw/zinc/02/00/51/536020051.db2.gz NLMRDTKVGZBDOB-UHFFFAOYSA-N 2 2 368.510 3.111 50 0 FGAALP CCOc1c(C[NH2+]CCCn2cc[nH+]c2)cc(Br)cc1OC ZINC000039279950 205045247 /nfs/dbraw/zinc/04/52/47/205045247.db2.gz LPAUYDAQAPKMMJ-UHFFFAOYSA-N 2 2 368.275 3.233 50 0 FGAALP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)o1 ZINC000042497354 205096123 /nfs/dbraw/zinc/09/61/23/205096123.db2.gz JBCWLWMSJRYESM-UHFFFAOYSA-N 2 2 356.470 3.047 50 0 FGAALP CC(C)Oc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Br ZINC000040719693 205076962 /nfs/dbraw/zinc/07/69/62/205076962.db2.gz IXZNJAHDBUUJDJ-UHFFFAOYSA-N 2 2 371.319 3.048 50 0 FGAALP Cc1ccc(-c2nc(N3CC[C@@H]([NH+](C)C)C3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065462807 205351660 /nfs/dbraw/zinc/35/16/60/205351660.db2.gz ACVSTFCVEJUECF-GOSISDBHSA-N 2 2 374.492 3.237 50 0 FGAALP Cc1cnc(C)c(N2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)n1 ZINC000065381998 205343237 /nfs/dbraw/zinc/34/32/37/205343237.db2.gz FKPCJUDEHGQHIL-UHFFFAOYSA-N 2 2 371.554 3.073 50 0 FGAALP Cc1nc(C[N@@H+](C)Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)cs1 ZINC000215705342 206350143 /nfs/dbraw/zinc/35/01/43/206350143.db2.gz USZWDJACVLWOJA-UHFFFAOYSA-N 2 2 372.582 3.448 50 0 FGAALP Cc1nc(C[N@H+](C)Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)cs1 ZINC000215705342 206350149 /nfs/dbraw/zinc/35/01/49/206350149.db2.gz USZWDJACVLWOJA-UHFFFAOYSA-N 2 2 372.582 3.448 50 0 FGAALP c1cc(C2CC[NH+](Cc3cccc(OCCCn4cc[nH+]c4)c3)CC2)n[nH]1 ZINC000216305449 206358536 /nfs/dbraw/zinc/35/85/36/206358536.db2.gz TYAFDHKSEQXTBQ-UHFFFAOYSA-N 2 2 365.481 3.455 50 0 FGAALP Cc1cc(N2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)cc(C)[nH+]1 ZINC000077358400 132182705 /nfs/dbraw/zinc/18/27/05/132182705.db2.gz GNYQGEJTGOKGNF-UHFFFAOYSA-N 2 2 368.529 3.197 50 0 FGAALP Cc1nc2sccc2c(N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)n1 ZINC000091965708 132204960 /nfs/dbraw/zinc/20/49/60/132204960.db2.gz LKQCJVBEFNUBQG-UHFFFAOYSA-N 2 2 370.526 3.142 50 0 FGAALP Cc1cc2ccccc2[nH+]c1N1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000063832253 136133072 /nfs/dbraw/zinc/13/30/72/136133072.db2.gz CQLKUESHQHJGHI-INIZCTEOSA-N 2 2 364.497 3.245 50 0 FGAALP Cc1c2ccccc2[nH]c1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000077390127 494074218 /nfs/dbraw/zinc/07/42/18/494074218.db2.gz WICQJDWBYSTOBS-UHFFFAOYSA-N 2 2 366.513 3.046 50 0 FGAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072121807 494128120 /nfs/dbraw/zinc/12/81/20/494128120.db2.gz PRHSNLMUXHITGU-LJQANCHMSA-N 2 2 350.470 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072121807 494128124 /nfs/dbraw/zinc/12/81/24/494128124.db2.gz PRHSNLMUXHITGU-LJQANCHMSA-N 2 2 350.470 3.217 50 0 FGAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302676 494222065 /nfs/dbraw/zinc/22/20/65/494222065.db2.gz UJZXEAIAWYANSK-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302676 494222068 /nfs/dbraw/zinc/22/20/68/494222068.db2.gz UJZXEAIAWYANSK-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302676 494222073 /nfs/dbraw/zinc/22/20/73/494222073.db2.gz UJZXEAIAWYANSK-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302676 494222077 /nfs/dbraw/zinc/22/20/77/494222077.db2.gz UJZXEAIAWYANSK-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000014969156 494331323 /nfs/dbraw/zinc/33/13/23/494331323.db2.gz HOGLWIUULTYWAK-FQEVSTJZSA-N 2 2 366.509 3.209 50 0 FGAALP CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000014969156 494331325 /nfs/dbraw/zinc/33/13/25/494331325.db2.gz HOGLWIUULTYWAK-FQEVSTJZSA-N 2 2 366.509 3.209 50 0 FGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003455 494750481 /nfs/dbraw/zinc/75/04/81/494750481.db2.gz NWQREOTYNOCWRJ-HXUWFJFHSA-N 2 2 366.509 3.057 50 0 FGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003455 494750488 /nfs/dbraw/zinc/75/04/88/494750488.db2.gz NWQREOTYNOCWRJ-HXUWFJFHSA-N 2 2 366.509 3.057 50 0 FGAALP COc1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)c2)cc1 ZINC000092028356 494760323 /nfs/dbraw/zinc/76/03/23/494760323.db2.gz YRLQIXRMFVDJCG-AVRDEDQJSA-N 2 2 368.477 3.034 50 0 FGAALP COc1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)c2)cc1 ZINC000092028356 494760335 /nfs/dbraw/zinc/76/03/35/494760335.db2.gz YRLQIXRMFVDJCG-AVRDEDQJSA-N 2 2 368.477 3.034 50 0 FGAALP C[C@@H](C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095385984 494972183 /nfs/dbraw/zinc/97/21/83/494972183.db2.gz RDFGMVORCNDXTP-GOSISDBHSA-N 2 2 368.525 3.345 50 0 FGAALP Cc1cccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095386214 494972301 /nfs/dbraw/zinc/97/23/01/494972301.db2.gz FSPFBKWEFKRCJH-FQEVSTJZSA-N 2 2 368.525 3.092 50 0 FGAALP CN(C)C(=O)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCCC1 ZINC000095445241 494974916 /nfs/dbraw/zinc/97/49/16/494974916.db2.gz PEHAMEUWZOJQAR-IBGZPJMESA-N 2 2 357.542 3.278 50 0 FGAALP CN(C)C(=O)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCC1 ZINC000095445241 494974919 /nfs/dbraw/zinc/97/49/19/494974919.db2.gz PEHAMEUWZOJQAR-IBGZPJMESA-N 2 2 357.542 3.278 50 0 FGAALP COc1ncc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1Cl ZINC000367438538 499198906 /nfs/dbraw/zinc/19/89/06/499198906.db2.gz NQBIBJAYLABPAZ-HNNXBMFYSA-N 2 2 374.916 3.496 50 0 FGAALP CC[N@H+](C)CCN(C)C(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534642477 504200329 /nfs/dbraw/zinc/20/03/29/504200329.db2.gz BPHDJAALPDOEIP-UHFFFAOYSA-N 2 2 362.477 3.338 50 0 FGAALP CC[N@@H+](C)CCN(C)C(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534642477 504200330 /nfs/dbraw/zinc/20/03/30/504200330.db2.gz BPHDJAALPDOEIP-UHFFFAOYSA-N 2 2 362.477 3.338 50 0 FGAALP CCCCn1cc[nH+]c1C1CC[NH+](Cc2ccc(C(=O)N(C)C)o2)CC1 ZINC000091551882 521392893 /nfs/dbraw/zinc/39/28/93/521392893.db2.gz VAEIHYRHMSHJSD-UHFFFAOYSA-N 2 2 358.486 3.358 50 0 FGAALP CCc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(C)[nH+]1 ZINC000091706841 523793450 /nfs/dbraw/zinc/79/34/50/523793450.db2.gz LKFULJAZMZHGGP-UHFFFAOYSA-N 2 2 362.481 3.371 50 0 FGAALP Cc1ccc(-c2nc(N3CC[NH+](C)CC3)s[n+]2-c2ccccc2)cc1 ZINC000004186614 204125676 /nfs/dbraw/zinc/12/56/76/204125676.db2.gz GZLQKIXVDIBLGW-UHFFFAOYSA-N 2 2 351.499 3.147 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000067856454 205397355 /nfs/dbraw/zinc/39/73/55/205397355.db2.gz UUNZNJWEIHDWMM-OAHLLOKOSA-N 2 2 369.387 3.218 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000067856454 205397359 /nfs/dbraw/zinc/39/73/59/205397359.db2.gz UUNZNJWEIHDWMM-OAHLLOKOSA-N 2 2 369.387 3.218 50 0 FGAALP Clc1ccc2nc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)sc2c1 ZINC000095500550 205769222 /nfs/dbraw/zinc/76/92/22/205769222.db2.gz PCJKUBNCBLQYHE-UHFFFAOYSA-N 2 2 361.902 3.474 50 0 FGAALP Clc1ccc2nc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)sc2c1 ZINC000095500550 205769226 /nfs/dbraw/zinc/76/92/26/205769226.db2.gz PCJKUBNCBLQYHE-UHFFFAOYSA-N 2 2 361.902 3.474 50 0 FGAALP c1cn(CCCOc2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000215351585 206345044 /nfs/dbraw/zinc/34/50/44/206345044.db2.gz PIRHOCBZKXUHMK-NHCUHLMSSA-N 2 2 355.482 3.496 50 0 FGAALP c1cn(CCCOc2ccc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cc2)c[nH+]1 ZINC000215351585 206345049 /nfs/dbraw/zinc/34/50/49/206345049.db2.gz PIRHOCBZKXUHMK-NHCUHLMSSA-N 2 2 355.482 3.496 50 0 FGAALP Cc1cc(C)c(C[N@@H+](C)[C@H](C)c2ccncn2)cc1CN1CC[NH+](C)CC1 ZINC000215494941 206347997 /nfs/dbraw/zinc/34/79/97/206347997.db2.gz VFHNIWMQQBULFM-LJQANCHMSA-N 2 2 367.541 3.034 50 0 FGAALP Cc1cc(C)c(C[N@H+](C)[C@H](C)c2ccncn2)cc1CN1CC[NH+](C)CC1 ZINC000215494941 206348001 /nfs/dbraw/zinc/34/80/01/206348001.db2.gz VFHNIWMQQBULFM-LJQANCHMSA-N 2 2 367.541 3.034 50 0 FGAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+](C)[C@H](C)c1ccncn1 ZINC000215494941 206348005 /nfs/dbraw/zinc/34/80/05/206348005.db2.gz VFHNIWMQQBULFM-LJQANCHMSA-N 2 2 367.541 3.034 50 0 FGAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+](C)[C@H](C)c1ccncn1 ZINC000215494941 206348010 /nfs/dbraw/zinc/34/80/10/206348010.db2.gz VFHNIWMQQBULFM-LJQANCHMSA-N 2 2 367.541 3.034 50 0 FGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077287988 494049028 /nfs/dbraw/zinc/04/90/28/494049028.db2.gz JFIFZADXLDPFPF-GOSISDBHSA-N 2 2 362.481 3.259 50 0 FGAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077287988 494049031 /nfs/dbraw/zinc/04/90/31/494049031.db2.gz JFIFZADXLDPFPF-GOSISDBHSA-N 2 2 362.481 3.259 50 0 FGAALP COc1ccc(-c2[nH+]ccn2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1O ZINC000077408362 494077316 /nfs/dbraw/zinc/07/73/16/494077316.db2.gz QHPCRAOKERKILQ-GOSISDBHSA-N 2 2 364.449 3.496 50 0 FGAALP COc1ccc(-c2[nH+]ccn2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1O ZINC000077408362 494077318 /nfs/dbraw/zinc/07/73/18/494077318.db2.gz QHPCRAOKERKILQ-GOSISDBHSA-N 2 2 364.449 3.496 50 0 FGAALP Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000077420707 494079857 /nfs/dbraw/zinc/07/98/57/494079857.db2.gz RMEBHLRTWIKNDA-UHFFFAOYSA-N 2 2 361.449 3.133 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1C ZINC000071745241 494096668 /nfs/dbraw/zinc/09/66/68/494096668.db2.gz FNDFGJVFYJFWBZ-HXUWFJFHSA-N 2 2 372.488 3.127 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1C ZINC000071745241 494096673 /nfs/dbraw/zinc/09/66/73/494096673.db2.gz FNDFGJVFYJFWBZ-HXUWFJFHSA-N 2 2 372.488 3.127 50 0 FGAALP CCCCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759352 494099262 /nfs/dbraw/zinc/09/92/62/494099262.db2.gz NCAABFIWFWJWJU-HXUWFJFHSA-N 2 2 372.557 3.064 50 0 FGAALP CCCCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759352 494099266 /nfs/dbraw/zinc/09/92/66/494099266.db2.gz NCAABFIWFWJWJU-HXUWFJFHSA-N 2 2 372.557 3.064 50 0 FGAALP Cc1nc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072133544 494131131 /nfs/dbraw/zinc/13/11/31/494131131.db2.gz CXLMVXGTSHFHGV-DFQSSKMNSA-N 2 2 356.420 3.130 50 0 FGAALP CCCCc1nc(Cl)c(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)[nH]1 ZINC000072439501 494174739 /nfs/dbraw/zinc/17/47/39/494174739.db2.gz HQDOWUUMKINNQR-OAHLLOKOSA-N 2 2 368.953 3.338 50 0 FGAALP OCCOc1ccccc1C[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072468152 494179280 /nfs/dbraw/zinc/17/92/80/494179280.db2.gz XCHKDCMKXPQJGA-UHFFFAOYSA-N 2 2 367.493 3.088 50 0 FGAALP OCCOc1ccccc1C[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072468152 494179287 /nfs/dbraw/zinc/17/92/87/494179287.db2.gz XCHKDCMKXPQJGA-UHFFFAOYSA-N 2 2 367.493 3.088 50 0 FGAALP Fc1ccccc1Cc1noc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000012386501 494228896 /nfs/dbraw/zinc/22/88/96/494228896.db2.gz VZRCMUWSDCGMPA-UHFFFAOYSA-N 2 2 372.488 3.497 50 0 FGAALP Cc1c(C)n(-c2cc(C)ccn2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000013723524 494295645 /nfs/dbraw/zinc/29/56/45/494295645.db2.gz GSFUNQGCHAONRT-UHFFFAOYSA-N 2 2 361.453 3.439 50 0 FGAALP Cc1ncc2c(c1-c1noc(-c3cccc(-c4[nH]cc[nH+]4)c3)n1)CC[NH2+]C2 ZINC000019740553 494458660 /nfs/dbraw/zinc/45/86/60/494458660.db2.gz ZZSFOXIRGBCHDZ-UHFFFAOYSA-N 2 2 358.405 3.143 50 0 FGAALP C[NH+]1CCC(n2nc(CC3CC3)nc2-c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000091587468 494621576 /nfs/dbraw/zinc/62/15/76/494621576.db2.gz GVHAIFQGVDNMPM-UHFFFAOYSA-N 2 2 362.481 3.350 50 0 FGAALP Cc1ccc2[nH]c(CCCNC(=O)CC[C@H]3CCC[N@@H+](C)C3)[nH+]c2c1C ZINC000095358674 494962703 /nfs/dbraw/zinc/96/27/03/494962703.db2.gz LHXYWFLXGLJPGE-QGZVFWFLSA-N 2 2 356.514 3.351 50 0 FGAALP Cc1ccc2[nH]c(CCCNC(=O)CC[C@H]3CCC[N@H+](C)C3)[nH+]c2c1C ZINC000095358674 494962704 /nfs/dbraw/zinc/96/27/04/494962704.db2.gz LHXYWFLXGLJPGE-QGZVFWFLSA-N 2 2 356.514 3.351 50 0 FGAALP C[N@@H+]1CCN(C(=O)c2cccc3c(Cl)cccc23)CC12CC[NH2+]CC2 ZINC000096149272 495004404 /nfs/dbraw/zinc/00/44/04/495004404.db2.gz RZOVGCUYKGAANQ-UHFFFAOYSA-N 2 2 357.885 3.003 50 0 FGAALP C[N@H+]1CCN(C(=O)c2cccc3c(Cl)cccc23)CC12CC[NH2+]CC2 ZINC000096149272 495004407 /nfs/dbraw/zinc/00/44/07/495004407.db2.gz RZOVGCUYKGAANQ-UHFFFAOYSA-N 2 2 357.885 3.003 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)on1 ZINC000097165369 495026572 /nfs/dbraw/zinc/02/65/72/495026572.db2.gz BUJHZIAAAMDVMV-TZIWHRDSSA-N 2 2 368.525 3.154 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)on1 ZINC000097165369 495026575 /nfs/dbraw/zinc/02/65/75/495026575.db2.gz BUJHZIAAAMDVMV-TZIWHRDSSA-N 2 2 368.525 3.154 50 0 FGAALP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000225408931 497062081 /nfs/dbraw/zinc/06/20/81/497062081.db2.gz GRJNPEFJBZCTGU-PKOBYXMFSA-N 2 2 359.514 3.005 50 0 FGAALP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000225408931 497062085 /nfs/dbraw/zinc/06/20/85/497062085.db2.gz GRJNPEFJBZCTGU-PKOBYXMFSA-N 2 2 359.514 3.005 50 0 FGAALP CC(C)C[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000252571743 497311561 /nfs/dbraw/zinc/31/15/61/497311561.db2.gz YMPGWGWJJNLTRF-SJLPKXTDSA-N 2 2 363.502 3.474 50 0 FGAALP CC(C)C[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000252571743 497311566 /nfs/dbraw/zinc/31/15/66/497311566.db2.gz YMPGWGWJJNLTRF-SJLPKXTDSA-N 2 2 363.502 3.474 50 0 FGAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000244887816 497373449 /nfs/dbraw/zinc/37/34/49/497373449.db2.gz YPCFZBVTWBEMFE-IBGZPJMESA-N 2 2 358.461 3.228 50 0 FGAALP CCc1[nH+]ccn1CCCNC(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000299781537 497921422 /nfs/dbraw/zinc/92/14/22/497921422.db2.gz RRKSWPLEHCLWBZ-UHFFFAOYSA-N 2 2 352.442 3.151 50 0 FGAALP Cc1c(C)n(-c2ccccc2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020533595 525680824 /nfs/dbraw/zinc/68/08/24/525680824.db2.gz CPLPQTIETZCIEY-UHFFFAOYSA-N 2 2 365.481 3.172 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)on1 ZINC000221902602 568472653 /nfs/dbraw/zinc/47/26/53/568472653.db2.gz BUJHZIAAAMDVMV-FPOVZHCZSA-N 2 2 368.525 3.154 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)on1 ZINC000221902602 568472655 /nfs/dbraw/zinc/47/26/55/568472655.db2.gz BUJHZIAAAMDVMV-FPOVZHCZSA-N 2 2 368.525 3.154 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000040720328 205077556 /nfs/dbraw/zinc/07/75/56/205077556.db2.gz KFADONCGKSVBHH-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP CC(C)C[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067446977 205371383 /nfs/dbraw/zinc/37/13/83/205371383.db2.gz ZFMQPBUBWZNDET-GOSISDBHSA-N 2 2 353.514 3.327 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[N@@H+](C)C[C@@]2(C)CC[NH+](C)C2)c1 ZINC000067649273 205378743 /nfs/dbraw/zinc/37/87/43/205378743.db2.gz UVWDMZKEEOPDAE-QFIPXVFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[N@H+](C)C[C@@]2(C)CC[NH+](C)C2)c1 ZINC000067649273 205378748 /nfs/dbraw/zinc/37/87/48/205378748.db2.gz UVWDMZKEEOPDAE-QFIPXVFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[NH+](C)C[C@@]2(C)CC[N@H+](C)C2)c1 ZINC000067649273 205378751 /nfs/dbraw/zinc/37/87/51/205378751.db2.gz UVWDMZKEEOPDAE-QFIPXVFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[NH+](C)C[C@@]2(C)CC[N@@H+](C)C2)c1 ZINC000067649273 205378756 /nfs/dbraw/zinc/37/87/56/205378756.db2.gz UVWDMZKEEOPDAE-QFIPXVFZSA-N 2 2 366.509 3.416 50 0 FGAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000091321218 205670382 /nfs/dbraw/zinc/67/03/82/205670382.db2.gz PLUYYMYVQMSJQO-UHFFFAOYSA-N 2 2 364.537 3.382 50 0 FGAALP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000095500501 205770534 /nfs/dbraw/zinc/77/05/34/205770534.db2.gz DWBPCJBVLKXLKE-UXHICEINSA-N 2 2 366.509 3.155 50 0 FGAALP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCCCCn1cc[nH+]c1)C2 ZINC000215020592 206343931 /nfs/dbraw/zinc/34/39/31/206343931.db2.gz BJYOJPCJNMMFDM-LEWJYISDSA-N 2 2 368.525 3.411 50 0 FGAALP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCCCCn1cc[nH+]c1)C2 ZINC000215020592 206343935 /nfs/dbraw/zinc/34/39/35/206343935.db2.gz BJYOJPCJNMMFDM-LEWJYISDSA-N 2 2 368.525 3.411 50 0 FGAALP C[NH+](C)Cc1csc(C[N@@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c1 ZINC000218810130 206375690 /nfs/dbraw/zinc/37/56/90/206375690.db2.gz CWOXMPWCFVEJRJ-FQEVSTJZSA-N 2 2 374.554 3.246 50 0 FGAALP C[NH+](C)Cc1csc(C[N@H+]2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c1 ZINC000218810130 206375695 /nfs/dbraw/zinc/37/56/95/206375695.db2.gz CWOXMPWCFVEJRJ-FQEVSTJZSA-N 2 2 374.554 3.246 50 0 FGAALP [NH3+]C1CC(c2cc(NCCCc3[nH]c4ccc(Cl)cc4[nH+]3)ncn2)C1 ZINC000219128880 206380119 /nfs/dbraw/zinc/38/01/19/206380119.db2.gz RRSMRAJVAFXYOL-UHFFFAOYSA-N 2 2 356.861 3.256 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC(N2CC([N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000096136531 132220054 /nfs/dbraw/zinc/22/00/54/132220054.db2.gz JRDZHRKAKLBGRW-KRWDZBQOSA-N 2 2 371.573 3.265 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC(N2CC([N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000096136531 132220056 /nfs/dbraw/zinc/22/00/56/132220056.db2.gz JRDZHRKAKLBGRW-KRWDZBQOSA-N 2 2 371.573 3.265 50 0 FGAALP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000097099108 132227560 /nfs/dbraw/zinc/22/75/60/132227560.db2.gz CROUUCFGSNEUFG-UHFFFAOYSA-N 3 2 356.539 3.370 50 0 FGAALP CSc1ccc2c(C)cc(N3CCC(O)(Cn4cc[nH+]c4)CC3)[nH+]c2c1 ZINC000055271070 136126468 /nfs/dbraw/zinc/12/64/68/136126468.db2.gz YWRSDQKNXANCEA-UHFFFAOYSA-N 2 2 368.506 3.493 50 0 FGAALP Fc1ccc(N2CCCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)cc1 ZINC000082106664 493978530 /nfs/dbraw/zinc/97/85/30/493978530.db2.gz KSIDYUPKFZEMBQ-UHFFFAOYSA-N 2 2 351.429 3.182 50 0 FGAALP C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC(C)(C)[NH+]1CCOCC1 ZINC000071708081 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Cc1cccnc1NC(=O)c1cccc(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)c1 ZINC000067649271 205378269 /nfs/dbraw/zinc/37/82/69/205378269.db2.gz UVWDMZKEEOPDAE-JOCHJYFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)c1 ZINC000067649271 205378272 /nfs/dbraw/zinc/37/82/72/205378272.db2.gz UVWDMZKEEOPDAE-JOCHJYFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)c1 ZINC000067649271 205378274 /nfs/dbraw/zinc/37/82/74/205378274.db2.gz UVWDMZKEEOPDAE-JOCHJYFZSA-N 2 2 366.509 3.416 50 0 FGAALP Cc1cccnc1NC(=O)c1cccc(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)c1 ZINC000067649271 205378276 /nfs/dbraw/zinc/37/82/76/205378276.db2.gz UVWDMZKEEOPDAE-JOCHJYFZSA-N 2 2 366.509 3.416 50 0 FGAALP c1cc(C[NH+]2CCN(Cc3cccnc3)CC2)sc1C[NH+]1CCCCC1 ZINC000215760096 206350407 /nfs/dbraw/zinc/35/04/07/206350407.db2.gz GACXZEGKXSLTEQ-UHFFFAOYSA-N 2 2 370.566 3.447 50 0 FGAALP c1cc(C[NH+]2CCCCC2)sc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000215760096 206350411 /nfs/dbraw/zinc/35/04/11/206350411.db2.gz GACXZEGKXSLTEQ-UHFFFAOYSA-N 2 2 370.566 3.447 50 0 FGAALP CC(C)[N@@H+]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C[C@@H]1C ZINC000216221415 206355972 /nfs/dbraw/zinc/35/59/72/206355972.db2.gz KNMGTIFMSXDMCQ-IBGZPJMESA-N 2 2 356.514 3.267 50 0 FGAALP CC(C)[N@H+]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C[C@@H]1C ZINC000216221415 206355976 /nfs/dbraw/zinc/35/59/76/206355976.db2.gz KNMGTIFMSXDMCQ-IBGZPJMESA-N 2 2 356.514 3.267 50 0 FGAALP c1cn(-c2ccc(C[N@@H+]3CCCC34CCN(c3ncccn3)CC4)cc2)c[nH+]1 ZINC000072411268 136145483 /nfs/dbraw/zinc/14/54/83/136145483.db2.gz CXUNHMNGHJLDHC-UHFFFAOYSA-N 2 2 374.492 3.297 50 0 FGAALP c1cn(-c2ccc(C[N@H+]3CCCC34CCN(c3ncccn3)CC4)cc2)c[nH+]1 ZINC000072411268 136145484 /nfs/dbraw/zinc/14/54/84/136145484.db2.gz CXUNHMNGHJLDHC-UHFFFAOYSA-N 2 2 374.492 3.297 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000077319490 494056302 /nfs/dbraw/zinc/05/63/02/494056302.db2.gz GDKHYCGWDAGHTI-UHFFFAOYSA-N 2 2 366.513 3.221 50 0 FGAALP CCc1ccccc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077437106 494082924 /nfs/dbraw/zinc/08/29/24/494082924.db2.gz JSPFRLSACUCBTF-UHFFFAOYSA-N 2 2 367.541 3.353 50 0 FGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1)N1CCCC1 ZINC000071747208 494097169 /nfs/dbraw/zinc/09/71/69/494097169.db2.gz LNWJKOXJSOGKMN-GOSISDBHSA-N 2 2 361.555 3.047 50 0 FGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1)N1CCCC1 ZINC000071747208 494097174 /nfs/dbraw/zinc/09/71/74/494097174.db2.gz LNWJKOXJSOGKMN-GOSISDBHSA-N 2 2 361.555 3.047 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072429134 494172748 /nfs/dbraw/zinc/17/27/48/494172748.db2.gz KQSVFUOJIOZPPP-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072429134 494172752 /nfs/dbraw/zinc/17/27/52/494172752.db2.gz KQSVFUOJIOZPPP-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)n1C ZINC000012302309 494221770 /nfs/dbraw/zinc/22/17/70/494221770.db2.gz SARWQRPNUZXLLE-QFIPXVFZSA-N 2 2 366.509 3.052 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)n1C ZINC000012302309 494221776 /nfs/dbraw/zinc/22/17/76/494221776.db2.gz SARWQRPNUZXLLE-QFIPXVFZSA-N 2 2 366.509 3.052 50 0 FGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nccc(OC)c2OC)C1 ZINC000095379662 494970058 /nfs/dbraw/zinc/97/00/58/494970058.db2.gz OBFCLJPRTNXQMP-INIZCTEOSA-N 2 2 358.486 3.475 50 0 FGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nccc(OC)c2OC)C1 ZINC000095379662 494970061 /nfs/dbraw/zinc/97/00/61/494970061.db2.gz OBFCLJPRTNXQMP-INIZCTEOSA-N 2 2 358.486 3.475 50 0 FGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000095381356 494971231 /nfs/dbraw/zinc/97/12/31/494971231.db2.gz SMZVCFZRSXYFGL-GOSISDBHSA-N 2 2 352.482 3.233 50 0 FGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000095381356 494971235 /nfs/dbraw/zinc/97/12/35/494971235.db2.gz SMZVCFZRSXYFGL-GOSISDBHSA-N 2 2 352.482 3.233 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000095499696 494981123 /nfs/dbraw/zinc/98/11/23/494981123.db2.gz KDFPYMHUMXRNNT-UHFFFAOYSA-N 2 2 366.918 3.179 50 0 FGAALP Cc1cccc2[nH]c(CCNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)[nH+]c21 ZINC000243957113 497361632 /nfs/dbraw/zinc/36/16/32/497361632.db2.gz CFXLOHUDAYHNJS-SHTZXODSSA-N 2 2 362.481 3.398 50 0 FGAALP Cc1cc2[nH]c(CCNC(=O)c3ccc(C[NH+]4CCCC4)o3)[nH+]c2cc1C ZINC000299757284 497913572 /nfs/dbraw/zinc/91/35/72/497913572.db2.gz KBNNHVPJTSUKMH-UHFFFAOYSA-N 2 2 366.465 3.341 50 0 FGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000299794397 497925611 /nfs/dbraw/zinc/92/56/11/497925611.db2.gz JMANQCYKJPMWMK-KRWDZBQOSA-N 2 2 352.442 3.305 50 0 FGAALP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1Cl ZINC000367438539 499199110 /nfs/dbraw/zinc/19/91/10/499199110.db2.gz NQBIBJAYLABPAZ-OAHLLOKOSA-N 2 2 374.916 3.496 50 0 FGAALP Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426497321 500279762 /nfs/dbraw/zinc/27/97/62/500279762.db2.gz VUFGRCBXRBNESP-HXUWFJFHSA-N 2 2 366.509 3.035 50 0 FGAALP Cc1ccccc1CNC(=O)C[NH+]1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000091451907 525152892 /nfs/dbraw/zinc/15/28/92/525152892.db2.gz AVSCNJQYSQNFLU-UHFFFAOYSA-N 2 2 354.498 3.268 50 0 FGAALP Cc1nnsc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139037 526446698 /nfs/dbraw/zinc/44/66/98/526446698.db2.gz SPOQAZXVDYIFCW-QGZVFWFLSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1nnsc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139037 526446704 /nfs/dbraw/zinc/44/67/04/526446704.db2.gz SPOQAZXVDYIFCW-QGZVFWFLSA-N 2 2 353.495 3.471 50 0 FGAALP CCCc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000095390045 535398237 /nfs/dbraw/zinc/39/82/37/535398237.db2.gz SEVMALBPJGEAFB-SFHVURJKSA-N 3 2 370.545 3.270 50 0 FGAALP CCCc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(C)n1 ZINC000095390045 535398240 /nfs/dbraw/zinc/39/82/40/535398240.db2.gz SEVMALBPJGEAFB-SFHVURJKSA-N 2 2 370.545 3.270 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000092099468 536020032 /nfs/dbraw/zinc/02/00/32/536020032.db2.gz ZBRQLGUCSBMJLK-UHFFFAOYSA-N 2 2 362.481 3.371 50 0 FGAALP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccnc(-n3cc[nH+]c3C)c2)c1 ZINC000048713925 570959175 /nfs/dbraw/zinc/95/91/75/570959175.db2.gz MPKNEZRABWCZPO-UHFFFAOYSA-N 2 2 374.448 3.264 50 0 FGAALP COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1Cn1cccn1 ZINC000097660372 209191713 /nfs/dbraw/zinc/19/17/13/209191713.db2.gz OOLXJIJITWIAKE-LJQANCHMSA-N 2 2 365.481 3.049 50 0 FGAALP COc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1Cn1cccn1 ZINC000097660372 209191715 /nfs/dbraw/zinc/19/17/15/209191715.db2.gz OOLXJIJITWIAKE-LJQANCHMSA-N 2 2 365.481 3.049 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095390142 209046582 /nfs/dbraw/zinc/04/65/82/209046582.db2.gz XFMRXVSYFRBMOA-KRWDZBQOSA-N 2 2 366.465 3.106 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095390142 209046586 /nfs/dbraw/zinc/04/65/86/209046586.db2.gz XFMRXVSYFRBMOA-KRWDZBQOSA-N 2 2 366.465 3.106 50 0 FGAALP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(-c3cccnc3)no2)cc1 ZINC000095462678 209054093 /nfs/dbraw/zinc/05/40/93/209054093.db2.gz YQUZFFXNZZTKCY-AWEZNQCLSA-N 2 2 360.421 3.477 50 0 FGAALP O[C@@H](COc1ccc(Cl)cc1C[NH+]1CCC1)C[NH+]1CCCCCC1 ZINC000095497744 209059909 /nfs/dbraw/zinc/05/99/09/209059909.db2.gz DGHFHBXLMBOCMJ-GOSISDBHSA-N 2 2 352.906 3.161 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000077300571 132180653 /nfs/dbraw/zinc/18/06/53/132180653.db2.gz ZMKGHQGVDAVFQF-UHFFFAOYSA-N 2 2 364.497 3.292 50 0 FGAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000091440901 132201823 /nfs/dbraw/zinc/20/18/23/132201823.db2.gz JNEZDOFNVHWTMK-GOSISDBHSA-N 2 2 351.498 3.155 50 0 FGAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000091440901 132201824 /nfs/dbraw/zinc/20/18/24/132201824.db2.gz JNEZDOFNVHWTMK-GOSISDBHSA-N 2 2 351.498 3.155 50 0 FGAALP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)COC(c1ccccc1)c1ccccc1 ZINC000003324523 493839091 /nfs/dbraw/zinc/83/90/91/493839091.db2.gz FGKXNQNQWKFCBX-NRFANRHFSA-N 2 2 365.477 3.030 50 0 FGAALP COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077321146 494056564 /nfs/dbraw/zinc/05/65/64/494056564.db2.gz GQAUSRPXGIRIQN-OAHLLOKOSA-N 2 2 353.470 3.292 50 0 FGAALP COc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077321146 494056568 /nfs/dbraw/zinc/05/65/68/494056568.db2.gz GQAUSRPXGIRIQN-OAHLLOKOSA-N 2 2 353.470 3.292 50 0 FGAALP COc1ccc2[nH]nc(C[N@@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077321146 494056575 /nfs/dbraw/zinc/05/65/75/494056575.db2.gz GQAUSRPXGIRIQN-OAHLLOKOSA-N 2 2 353.470 3.292 50 0 FGAALP COc1ccc2[nH]nc(C[N@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077321146 494056581 /nfs/dbraw/zinc/05/65/81/494056581.db2.gz GQAUSRPXGIRIQN-OAHLLOKOSA-N 2 2 353.470 3.292 50 0 FGAALP Cc1ccc(C)c(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 ZINC000077437761 494082509 /nfs/dbraw/zinc/08/25/09/494082509.db2.gz UFPVMHZIOQLZTK-IBGZPJMESA-N 2 2 367.541 3.407 50 0 FGAALP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 ZINC000077437761 494082512 /nfs/dbraw/zinc/08/25/12/494082512.db2.gz UFPVMHZIOQLZTK-IBGZPJMESA-N 2 2 367.541 3.407 50 0 FGAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071385578 494091784 /nfs/dbraw/zinc/09/17/84/494091784.db2.gz MPICIHTVMZKRTF-GOSISDBHSA-N 2 2 373.541 3.141 50 0 FGAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071385578 494091788 /nfs/dbraw/zinc/09/17/88/494091788.db2.gz MPICIHTVMZKRTF-GOSISDBHSA-N 2 2 373.541 3.141 50 0 FGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730451 494095031 /nfs/dbraw/zinc/09/50/31/494095031.db2.gz AMADGOGUNQASHS-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730451 494095034 /nfs/dbraw/zinc/09/50/34/494095034.db2.gz AMADGOGUNQASHS-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP CCCn1cc[nH+]c1CN(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072147769 494134487 /nfs/dbraw/zinc/13/44/87/494134487.db2.gz GXUOVEMYTIHSLY-HXUWFJFHSA-N 2 2 352.526 3.357 50 0 FGAALP CCCn1cc[nH+]c1CN(C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072147769 494134491 /nfs/dbraw/zinc/13/44/91/494134491.db2.gz GXUOVEMYTIHSLY-HXUWFJFHSA-N 2 2 352.526 3.357 50 0 FGAALP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1nc(-c2cccnc2)no1 ZINC000072172650 494143230 /nfs/dbraw/zinc/14/32/30/494143230.db2.gz DUCXWAHBJBIMMH-UHFFFAOYSA-N 2 2 369.494 3.421 50 0 FGAALP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1nc(-c2cccnc2)no1 ZINC000072172650 494143235 /nfs/dbraw/zinc/14/32/35/494143235.db2.gz DUCXWAHBJBIMMH-UHFFFAOYSA-N 2 2 369.494 3.421 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000072412396 494166831 /nfs/dbraw/zinc/16/68/31/494166831.db2.gz UCCFOXWNRZTROU-GOSISDBHSA-N 2 2 360.461 3.205 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000072412396 494166833 /nfs/dbraw/zinc/16/68/33/494166833.db2.gz UCCFOXWNRZTROU-GOSISDBHSA-N 2 2 360.461 3.205 50 0 FGAALP Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)no1 ZINC000072418914 494167719 /nfs/dbraw/zinc/16/77/19/494167719.db2.gz ZACAIOVESFCZFP-CQSZACIVSA-N 2 2 365.909 3.343 50 0 FGAALP Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)no1 ZINC000072418914 494167722 /nfs/dbraw/zinc/16/77/22/494167722.db2.gz ZACAIOVESFCZFP-CQSZACIVSA-N 2 2 365.909 3.343 50 0 FGAALP O=C(C[NH2+]CCc1ccc(O)cc1)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000013042910 494277049 /nfs/dbraw/zinc/27/70/49/494277049.db2.gz JDEQXINHCBAAGG-UHFFFAOYSA-N 2 2 361.445 3.200 50 0 FGAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067847512 494666273 /nfs/dbraw/zinc/66/62/73/494666273.db2.gz CQWVFTAHLKDANW-HNNXBMFYSA-N 2 2 359.470 3.146 50 0 FGAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067847512 494666282 /nfs/dbraw/zinc/66/62/82/494666282.db2.gz CQWVFTAHLKDANW-HNNXBMFYSA-N 2 2 359.470 3.146 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000091845712 494702634 /nfs/dbraw/zinc/70/26/34/494702634.db2.gz VWDQKTAZAMRCTD-UHFFFAOYSA-N 2 2 364.497 3.231 50 0 FGAALP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cn1cccn1 ZINC000215717774 496983799 /nfs/dbraw/zinc/98/37/99/496983799.db2.gz PLWSYIWDNZEPQW-UHFFFAOYSA-N 2 2 351.454 3.043 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)on1 ZINC000097165370 209174818 /nfs/dbraw/zinc/17/48/18/209174818.db2.gz BUJHZIAAAMDVMV-CTNGQTDRSA-N 2 2 368.525 3.154 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)on1 ZINC000097165370 209174822 /nfs/dbraw/zinc/17/48/22/209174822.db2.gz BUJHZIAAAMDVMV-CTNGQTDRSA-N 2 2 368.525 3.154 50 0 FGAALP CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012317650 207360753 /nfs/dbraw/zinc/36/07/53/207360753.db2.gz LJTJPYSLVLOVMU-OAQYLSRUSA-N 2 2 371.481 3.115 50 0 FGAALP CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012317650 207360757 /nfs/dbraw/zinc/36/07/57/207360757.db2.gz LJTJPYSLVLOVMU-OAQYLSRUSA-N 2 2 371.481 3.115 50 0 FGAALP CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC([C@@H](C)[NH+](C)C)CC1 ZINC000092021274 209010782 /nfs/dbraw/zinc/01/07/82/209010782.db2.gz OMEBMRKBICLXGO-MRXNPFEDSA-N 2 2 356.514 3.178 50 0 FGAALP CC(C)[NH+]1CCC(C(=O)N[C@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000095361929 209029126 /nfs/dbraw/zinc/02/91/26/209029126.db2.gz AZVRVFVDANROKY-HXUWFJFHSA-N 2 2 354.498 3.251 50 0 FGAALP CCc1[nH]c(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)c(C)[nH+]1 ZINC000071552001 494094042 /nfs/dbraw/zinc/09/40/42/494094042.db2.gz CXEVXUYMOQWNFQ-SFHVURJKSA-N 2 2 354.498 3.294 50 0 FGAALP CCc1[nH]c(C[N@H+]2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)c(C)[nH+]1 ZINC000071552001 494094046 /nfs/dbraw/zinc/09/40/46/494094046.db2.gz CXEVXUYMOQWNFQ-SFHVURJKSA-N 2 2 354.498 3.294 50 0 FGAALP CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071775473 494100739 /nfs/dbraw/zinc/10/07/39/494100739.db2.gz SFIOBVCQSBFJTG-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071775473 494100742 /nfs/dbraw/zinc/10/07/42/494100742.db2.gz SFIOBVCQSBFJTG-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP Fc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3[nH+]2)cc1 ZINC000020463272 494473725 /nfs/dbraw/zinc/47/37/25/494473725.db2.gz VRTSZUQZRYFXJK-UHFFFAOYSA-N 2 2 364.424 3.427 50 0 FGAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091503956 494610411 /nfs/dbraw/zinc/61/04/11/494610411.db2.gz ALEAINVOVLQSIX-KOUHRCEDSA-N 2 2 374.569 3.134 50 0 FGAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091503956 494610420 /nfs/dbraw/zinc/61/04/20/494610420.db2.gz ALEAINVOVLQSIX-KOUHRCEDSA-N 2 2 374.569 3.134 50 0 FGAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091503956 494610428 /nfs/dbraw/zinc/61/04/28/494610428.db2.gz ALEAINVOVLQSIX-KOUHRCEDSA-N 2 2 374.569 3.134 50 0 FGAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091503956 494610433 /nfs/dbraw/zinc/61/04/33/494610433.db2.gz ALEAINVOVLQSIX-KOUHRCEDSA-N 2 2 374.569 3.134 50 0 FGAALP Cc1cc(Cl)cc(Cl)c1CNc1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000222270846 497021983 /nfs/dbraw/zinc/02/19/83/497021983.db2.gz HRSTUENMYKDNHJ-UHFFFAOYSA-N 2 2 352.269 3.491 50 0 FGAALP CC(C)C[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000252571741 497311778 /nfs/dbraw/zinc/31/17/78/497311778.db2.gz YMPGWGWJJNLTRF-FUHWJXTLSA-N 2 2 363.502 3.474 50 0 FGAALP CC(C)C[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000252571741 497311781 /nfs/dbraw/zinc/31/17/81/497311781.db2.gz YMPGWGWJJNLTRF-FUHWJXTLSA-N 2 2 363.502 3.474 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299778509 497919820 /nfs/dbraw/zinc/91/98/20/497919820.db2.gz NGSOCSLBZVINAC-LJQANCHMSA-N 2 2 367.493 3.004 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299778509 497919827 /nfs/dbraw/zinc/91/98/27/497919827.db2.gz NGSOCSLBZVINAC-LJQANCHMSA-N 2 2 367.493 3.004 50 0 FGAALP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(-n3cc[nH+]c3)c(Cl)c1)C2 ZINC000299775537 497920851 /nfs/dbraw/zinc/92/08/51/497920851.db2.gz KFZFOJQKDGCCGG-UOIKSKOESA-N 2 2 373.888 3.330 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549203 500288083 /nfs/dbraw/zinc/28/80/83/500288083.db2.gz SIMZTJQRRIEMAN-JOCHJYFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549203 500288085 /nfs/dbraw/zinc/28/80/85/500288085.db2.gz SIMZTJQRRIEMAN-JOCHJYFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549203 500288086 /nfs/dbraw/zinc/28/80/86/500288086.db2.gz SIMZTJQRRIEMAN-JOCHJYFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549203 500288087 /nfs/dbraw/zinc/28/80/87/500288087.db2.gz SIMZTJQRRIEMAN-JOCHJYFZSA-N 2 2 357.542 3.198 50 0 FGAALP CC(C)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000426563424 500289668 /nfs/dbraw/zinc/28/96/68/500289668.db2.gz SQXAAMPBJOJFGM-NRFANRHFSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000426563424 500289669 /nfs/dbraw/zinc/28/96/69/500289669.db2.gz SQXAAMPBJOJFGM-NRFANRHFSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426563424 500289670 /nfs/dbraw/zinc/28/96/70/500289670.db2.gz SQXAAMPBJOJFGM-NRFANRHFSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000426563424 500289671 /nfs/dbraw/zinc/28/96/71/500289671.db2.gz SQXAAMPBJOJFGM-NRFANRHFSA-N 2 2 361.505 3.028 50 0 FGAALP Fc1cccc([C@@]2(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)CCOC2)c1 ZINC000020863891 526398619 /nfs/dbraw/zinc/39/86/19/526398619.db2.gz XQBIKJVTGGPQAJ-JOCHJYFZSA-N 2 2 369.484 3.133 50 0 FGAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1cccs1 ZINC000020010734 526843727 /nfs/dbraw/zinc/84/37/27/526843727.db2.gz IGJCSHWYBGBDJT-SFHVURJKSA-N 2 2 370.522 3.203 50 0 FGAALP O=C(NC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097425610 209182238 /nfs/dbraw/zinc/18/22/38/209182238.db2.gz JUKZMIWGNATVBE-UHFFFAOYSA-N 2 2 366.490 3.328 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000095354204 209024330 /nfs/dbraw/zinc/02/43/30/209024330.db2.gz OUCIMJRSJSZPRC-OAHLLOKOSA-N 2 2 351.454 3.378 50 0 FGAALP Cc1ccccc1[C@@H](CNC(=O)Cn1cc[nH+]c1-c1ccccc1)[NH+](C)C ZINC000095508526 209067053 /nfs/dbraw/zinc/06/70/53/209067053.db2.gz PNORNIVYHMPPLH-HXUWFJFHSA-N 2 2 362.477 3.278 50 0 FGAALP Cc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)c(C)c(C)[nH+]1 ZINC000091847387 132204304 /nfs/dbraw/zinc/20/43/04/132204304.db2.gz AXTRMJGOVDDHFM-IBGZPJMESA-N 2 2 362.481 3.426 50 0 FGAALP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058391744 136131675 /nfs/dbraw/zinc/13/16/75/136131675.db2.gz OBIBDCYKDRLDPL-LJQANCHMSA-N 2 2 370.541 3.069 50 0 FGAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000077338617 494060543 /nfs/dbraw/zinc/06/05/43/494060543.db2.gz DIUXIMNLKVSOHV-FQEVSTJZSA-N 2 2 368.481 3.324 50 0 FGAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)c(C)c1 ZINC000077459769 494088099 /nfs/dbraw/zinc/08/80/99/494088099.db2.gz ZEXNUNMQINAZIM-UHFFFAOYSA-N 2 2 367.541 3.407 50 0 FGAALP CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C(C)C ZINC000071765074 494100504 /nfs/dbraw/zinc/10/05/04/494100504.db2.gz NHWQRXOZPTWVMS-HXUWFJFHSA-N 2 2 372.557 3.015 50 0 FGAALP CCN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C(C)C ZINC000071765074 494100508 /nfs/dbraw/zinc/10/05/08/494100508.db2.gz NHWQRXOZPTWVMS-HXUWFJFHSA-N 2 2 372.557 3.015 50 0 FGAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077556015 494113668 /nfs/dbraw/zinc/11/36/68/494113668.db2.gz BTXPUXISVCKSOJ-KRWDZBQOSA-N 2 2 360.395 3.267 50 0 FGAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077556015 494113673 /nfs/dbraw/zinc/11/36/73/494113673.db2.gz BTXPUXISVCKSOJ-KRWDZBQOSA-N 2 2 360.395 3.267 50 0 FGAALP CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072142117 494133591 /nfs/dbraw/zinc/13/35/91/494133591.db2.gz CKUXCKOPHRIUCZ-UHFFFAOYSA-N 2 2 354.498 3.015 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000072434349 494175461 /nfs/dbraw/zinc/17/54/61/494175461.db2.gz HJCIAJDEFFRHNR-HXUWFJFHSA-N 2 2 367.541 3.489 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc1 ZINC000072434349 494175465 /nfs/dbraw/zinc/17/54/65/494175465.db2.gz HJCIAJDEFFRHNR-HXUWFJFHSA-N 2 2 367.541 3.489 50 0 FGAALP Cc1sc2nc(CC[NH3+])nc(NCc3c[nH+]c4ccccn34)c2c1C ZINC000065394852 494191993 /nfs/dbraw/zinc/19/19/93/494191993.db2.gz MUFMOINZYSSXHJ-UHFFFAOYSA-N 2 2 352.467 3.069 50 0 FGAALP Fc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000054175985 494203774 /nfs/dbraw/zinc/20/37/74/494203774.db2.gz HDAOOQCSSQIPHT-UHFFFAOYSA-N 2 2 356.441 3.351 50 0 FGAALP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C=C12 ZINC000012659901 494249208 /nfs/dbraw/zinc/24/92/08/494249208.db2.gz XBYCLWZNSPFVFP-JFQNMGATSA-N 2 2 357.498 3.177 50 0 FGAALP C[C@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019370659 494443615 /nfs/dbraw/zinc/44/36/15/494443615.db2.gz LAANVYLBPQYPTP-SFHVURJKSA-N 2 2 364.489 3.479 50 0 FGAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000091769531 494673105 /nfs/dbraw/zinc/67/31/05/494673105.db2.gz DEGSPVCGBGXQNN-FQEVSTJZSA-N 2 2 366.509 3.001 50 0 FGAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000091769531 494673109 /nfs/dbraw/zinc/67/31/09/494673109.db2.gz DEGSPVCGBGXQNN-FQEVSTJZSA-N 2 2 366.509 3.001 50 0 FGAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC2=C[NH2+][C@H]3C=CC=C[C@H]23)cc1 ZINC000101244788 495067982 /nfs/dbraw/zinc/06/79/82/495067982.db2.gz OQLLVXAXRSWYFQ-MJGOQNOKSA-N 2 2 374.423 3.355 50 0 FGAALP CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000229946956 497101024 /nfs/dbraw/zinc/10/10/24/497101024.db2.gz SAAGKMFSULVDQB-QAPCUYQASA-N 2 2 367.453 3.415 50 0 FGAALP CCOc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000229946956 497101030 /nfs/dbraw/zinc/10/10/30/497101030.db2.gz SAAGKMFSULVDQB-QAPCUYQASA-N 2 2 367.453 3.415 50 0 FGAALP CC[N@H+](CCc1[nH]c2ccc(OC)cc2[nH+]1)Cc1nnc(-c2ccco2)o1 ZINC000244794913 497369649 /nfs/dbraw/zinc/36/96/49/497369649.db2.gz QWGSGHBAEGRARV-UHFFFAOYSA-N 2 2 367.409 3.279 50 0 FGAALP COCCO[C@H]1C[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C12CCCCC2 ZINC000257186784 497386379 /nfs/dbraw/zinc/38/63/79/497386379.db2.gz ZTTBZXUBBMRTKB-NRFANRHFSA-N 2 2 373.541 3.096 50 0 FGAALP CC[NH+]1CCC(CNC(=O)Nc2cc(C)ccc2Cl)([NH+](C)C)CC1 ZINC000299798080 497926932 /nfs/dbraw/zinc/92/69/32/497926932.db2.gz PAJFNBWSBXJYSN-UHFFFAOYSA-N 2 2 352.910 3.186 50 0 FGAALP CC(C)C[N@H+](C1CN(C(=O)CCCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000575315895 505959806 /nfs/dbraw/zinc/95/98/06/505959806.db2.gz PCQLFGMCZKUWGH-UHFFFAOYSA-N 2 2 371.569 3.272 50 0 FGAALP CC(C)C[N@@H+](C1CN(C(=O)CCCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000575315895 505959810 /nfs/dbraw/zinc/95/98/10/505959810.db2.gz PCQLFGMCZKUWGH-UHFFFAOYSA-N 2 2 371.569 3.272 50 0 FGAALP CCC[NH+]1CCC([N@@H+]2CC[C@@H](n3c(C)c[nH+]c3-c3ccncc3)C2)CC1 ZINC000575550169 505980956 /nfs/dbraw/zinc/98/09/56/505980956.db2.gz RJOLLSJAQHQLOL-HXUWFJFHSA-N 3 2 353.514 3.375 50 0 FGAALP CCC[NH+]1CCC([N@H+]2CC[C@@H](n3c(C)c[nH+]c3-c3ccncc3)C2)CC1 ZINC000575550169 505980958 /nfs/dbraw/zinc/98/09/58/505980958.db2.gz RJOLLSJAQHQLOL-HXUWFJFHSA-N 3 2 353.514 3.375 50 0 FGAALP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)c1cncc(F)c1 ZINC000284401159 499101864 /nfs/dbraw/zinc/10/18/64/499101864.db2.gz BEAWUVXQUQGIOY-AUSJPIAWSA-N 2 2 357.477 3.221 50 0 FGAALP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)c1cncc(F)c1 ZINC000284401159 499101866 /nfs/dbraw/zinc/10/18/66/499101866.db2.gz BEAWUVXQUQGIOY-AUSJPIAWSA-N 2 2 357.477 3.221 50 0 FGAALP Cc1nc(NCC[NH+]2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426674185 500304679 /nfs/dbraw/zinc/30/46/79/500304679.db2.gz KNMALURIBPVMQZ-FQEVSTJZSA-N 2 2 366.509 3.002 50 0 FGAALP Cc1nnsc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139036 526447079 /nfs/dbraw/zinc/44/70/79/526447079.db2.gz SPOQAZXVDYIFCW-KRWDZBQOSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1nnsc1C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139036 526447084 /nfs/dbraw/zinc/44/70/84/526447084.db2.gz SPOQAZXVDYIFCW-KRWDZBQOSA-N 2 2 353.495 3.471 50 0 FGAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000103268879 570847351 /nfs/dbraw/zinc/84/73/51/570847351.db2.gz QZCJAWKUNQGHJW-CRAIPNDOSA-N 2 2 367.921 3.004 50 0 FGAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000103268879 570847353 /nfs/dbraw/zinc/84/73/53/570847353.db2.gz QZCJAWKUNQGHJW-CRAIPNDOSA-N 2 2 367.921 3.004 50 0 FGAALP C[NH+](C)CCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000261491683 210007245 /nfs/dbraw/zinc/00/72/45/210007245.db2.gz CLMDMEHHXIJRJO-UHFFFAOYSA-N 2 2 367.472 3.174 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000096180481 209132126 /nfs/dbraw/zinc/13/21/26/209132126.db2.gz UCSQXBUAGUSBCJ-UHFFFAOYSA-N 2 2 355.530 3.356 50 0 FGAALP CCc1oc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000096137660 209118605 /nfs/dbraw/zinc/11/86/05/209118605.db2.gz KUIGRERQRJAAEE-LJQANCHMSA-N 2 2 367.493 3.225 50 0 FGAALP CCc1oc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000096137659 209118399 /nfs/dbraw/zinc/11/83/99/209118399.db2.gz KUIGRERQRJAAEE-IBGZPJMESA-N 2 2 367.493 3.225 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012302655 207354897 /nfs/dbraw/zinc/35/48/97/207354897.db2.gz AMTKSEZSROYCJC-JOCHJYFZSA-N 2 2 364.493 3.415 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012302655 207354899 /nfs/dbraw/zinc/35/48/99/207354899.db2.gz AMTKSEZSROYCJC-JOCHJYFZSA-N 2 2 364.493 3.415 50 0 FGAALP Fc1c[nH+]ccc1N1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077471970 132186829 /nfs/dbraw/zinc/18/68/29/132186829.db2.gz WDJSNKRTBVRQKI-UHFFFAOYSA-N 2 2 370.476 3.127 50 0 FGAALP Cc1nc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)c(C)[nH+]1 ZINC000091547200 132202122 /nfs/dbraw/zinc/20/21/22/132202122.db2.gz YBKHPBFZHWONIS-IBGZPJMESA-N 2 2 362.481 3.426 50 0 FGAALP Cc1nc2sccc2c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095516433 132213468 /nfs/dbraw/zinc/21/34/68/132213468.db2.gz ZNEVBRCKQIUNMI-OAHLLOKOSA-N 2 2 370.526 3.142 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076091403 493820235 /nfs/dbraw/zinc/82/02/35/493820235.db2.gz VBECOOALJFAVJY-SLFFLAALSA-N 2 2 357.542 3.369 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076091403 493820241 /nfs/dbraw/zinc/82/02/41/493820241.db2.gz VBECOOALJFAVJY-SLFFLAALSA-N 2 2 357.542 3.369 50 0 FGAALP C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(Cl)n4cc[nH+]c34)cc2)CC1 ZINC000071257090 494089966 /nfs/dbraw/zinc/08/99/66/494089966.db2.gz UAVPGIWDTZUXJJ-UHFFFAOYSA-N 2 2 369.856 3.119 50 0 FGAALP CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C(C)C ZINC000071730315 494095316 /nfs/dbraw/zinc/09/53/16/494095316.db2.gz MDWYIJUPOQVFJS-FQEVSTJZSA-N 2 2 372.557 3.015 50 0 FGAALP CCN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C(C)C ZINC000071730315 494095321 /nfs/dbraw/zinc/09/53/21/494095321.db2.gz MDWYIJUPOQVFJS-FQEVSTJZSA-N 2 2 372.557 3.015 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000072473940 494180497 /nfs/dbraw/zinc/18/04/97/494180497.db2.gz MJBRUOAKMKDWBK-CQSZACIVSA-N 2 2 365.884 3.049 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000072473940 494180502 /nfs/dbraw/zinc/18/05/02/494180502.db2.gz MJBRUOAKMKDWBK-CQSZACIVSA-N 2 2 365.884 3.049 50 0 FGAALP CC(C)C[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067446978 494543044 /nfs/dbraw/zinc/54/30/44/494543044.db2.gz ZFMQPBUBWZNDET-SFHVURJKSA-N 2 2 353.514 3.327 50 0 FGAALP Cc1ccc2[nH]c(CCNc3cc([C@H]4CCC[NH2+]C4)nc(C)n3)[nH+]c2c1C ZINC000067654432 494597923 /nfs/dbraw/zinc/59/79/23/494597923.db2.gz RDIMTAGXILYTBX-INIZCTEOSA-N 2 2 364.497 3.400 50 0 FGAALP Cc1ccc2[nH+]c(CCNc3cc([C@H]4CCC[NH2+]C4)nc(C)n3)[nH]c2c1C ZINC000067654432 494597937 /nfs/dbraw/zinc/59/79/37/494597937.db2.gz RDIMTAGXILYTBX-INIZCTEOSA-N 2 2 364.497 3.400 50 0 FGAALP Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000067894485 494686008 /nfs/dbraw/zinc/68/60/08/494686008.db2.gz KJISCFCEGZWJJJ-UHFFFAOYSA-N 2 2 370.840 3.199 50 0 FGAALP Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000067894485 494686019 /nfs/dbraw/zinc/68/60/19/494686019.db2.gz KJISCFCEGZWJJJ-UHFFFAOYSA-N 2 2 370.840 3.199 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000025421080 494739171 /nfs/dbraw/zinc/73/91/71/494739171.db2.gz ZRFDRNZYEVCITE-LJQANCHMSA-N 2 2 350.466 3.018 50 0 FGAALP CCn1nc(C)c(NC(=O)C[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)c1C ZINC000244764112 497370157 /nfs/dbraw/zinc/37/01/57/497370157.db2.gz PBNWEYNHJOQVAB-UHFFFAOYSA-N 2 2 372.517 3.115 50 0 FGAALP CCC[NH+]1CCC([N@@H+]2CC[C@H](n3c(C)c[nH+]c3-c3ccncc3)C2)CC1 ZINC000575550166 505981032 /nfs/dbraw/zinc/98/10/32/505981032.db2.gz RJOLLSJAQHQLOL-FQEVSTJZSA-N 3 2 353.514 3.375 50 0 FGAALP CCC[NH+]1CCC([N@H+]2CC[C@H](n3c(C)c[nH+]c3-c3ccncc3)C2)CC1 ZINC000575550166 505981035 /nfs/dbraw/zinc/98/10/35/505981035.db2.gz RJOLLSJAQHQLOL-FQEVSTJZSA-N 3 2 353.514 3.375 50 0 FGAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c2)[nH+]1 ZINC000584890532 507559063 /nfs/dbraw/zinc/55/90/63/507559063.db2.gz LMKBHLGNZDYXFV-CQSZACIVSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)c2)[nH+]1 ZINC000584890532 507559066 /nfs/dbraw/zinc/55/90/66/507559066.db2.gz LMKBHLGNZDYXFV-CQSZACIVSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c2)c(C)[nH+]1 ZINC000584890532 507559069 /nfs/dbraw/zinc/55/90/69/507559069.db2.gz LMKBHLGNZDYXFV-CQSZACIVSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(-c2cccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)c2)c(C)[nH+]1 ZINC000584890532 507559071 /nfs/dbraw/zinc/55/90/71/507559071.db2.gz LMKBHLGNZDYXFV-CQSZACIVSA-N 2 2 352.482 3.392 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091707946 522001678 /nfs/dbraw/zinc/00/16/78/522001678.db2.gz AHYKDYJVMUEJHQ-IBGZPJMESA-N 2 2 362.481 3.371 50 0 FGAALP CCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)nc(C)[nH+]1 ZINC000091303945 523795282 /nfs/dbraw/zinc/79/52/82/523795282.db2.gz CTVHWJNMEFEHSX-SFHVURJKSA-N 2 2 362.481 3.371 50 0 FGAALP Cc1cc(C)c(C[N@@H+](C)[C@H](C)c2ccon2)cc1CN1CC[NH+](C)CC1 ZINC000216470871 524260935 /nfs/dbraw/zinc/26/09/35/524260935.db2.gz FMGIKIJPPSFTDF-GOSISDBHSA-N 2 2 356.514 3.232 50 0 FGAALP Cc1cc(C)c(C[N@H+](C)[C@H](C)c2ccon2)cc1CN1CC[NH+](C)CC1 ZINC000216470871 524260942 /nfs/dbraw/zinc/26/09/42/524260942.db2.gz FMGIKIJPPSFTDF-GOSISDBHSA-N 2 2 356.514 3.232 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000095354671 535936701 /nfs/dbraw/zinc/93/67/01/535936701.db2.gz XHDUNOGXPBYHOE-ZDUSSCGKSA-N 2 2 351.857 3.016 50 0 FGAALP COc1cccc(N2CC[NH+](CCn3c(C)[nH+]c4ccccc43)CC2)c1 ZINC000089729972 537123332 /nfs/dbraw/zinc/12/33/32/537123332.db2.gz FXHGJASPFVIPBA-UHFFFAOYSA-N 2 2 350.466 3.176 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012548301 207390433 /nfs/dbraw/zinc/39/04/33/207390433.db2.gz DZKFYTXGNDSTCQ-SFHVURJKSA-N 2 2 366.465 3.145 50 0 FGAALP CC(C)[NH+]1CCC(C(=O)N[C@@H](CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000095361928 209029628 /nfs/dbraw/zinc/02/96/28/209029628.db2.gz AZVRVFVDANROKY-FQEVSTJZSA-N 2 2 354.498 3.251 50 0 FGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)CC[N@@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000092064944 209015131 /nfs/dbraw/zinc/01/51/31/209015131.db2.gz GLKNXIPGRPNOOP-MJGOQNOKSA-N 2 2 358.530 3.264 50 0 FGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000092064944 209015132 /nfs/dbraw/zinc/01/51/32/209015132.db2.gz GLKNXIPGRPNOOP-MJGOQNOKSA-N 2 2 358.530 3.264 50 0 FGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000095379208 209039358 /nfs/dbraw/zinc/03/93/58/209039358.db2.gz ZVISGQCJMRSYOB-QMUYELLFSA-N 2 2 354.473 3.467 50 0 FGAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2C/C=C/c2ccc(F)cc2)C1 ZINC000095379208 209039360 /nfs/dbraw/zinc/03/93/60/209039360.db2.gz ZVISGQCJMRSYOB-QMUYELLFSA-N 2 2 354.473 3.467 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095380264 209040255 /nfs/dbraw/zinc/04/02/55/209040255.db2.gz JAKQWTHUPNPPQD-GOSISDBHSA-N 2 2 369.513 3.238 50 0 FGAALP Cc1c[nH]c(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)c(C)c1=O ZINC000095519920 209072278 /nfs/dbraw/zinc/07/22/78/209072278.db2.gz GKXWDJCOBPOYBG-FQEVSTJZSA-N 2 2 365.521 3.446 50 0 FGAALP Cc1c[nH]c(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)c(C)c1=O ZINC000095519920 209072281 /nfs/dbraw/zinc/07/22/81/209072281.db2.gz GKXWDJCOBPOYBG-FQEVSTJZSA-N 2 2 365.521 3.446 50 0 FGAALP Oc1cccc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244724577 132291048 /nfs/dbraw/zinc/29/10/48/132291048.db2.gz MWQVAYXYXBQISA-HXUWFJFHSA-N 2 2 351.494 3.036 50 0 FGAALP Oc1cccc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244724577 132291050 /nfs/dbraw/zinc/29/10/50/132291050.db2.gz MWQVAYXYXBQISA-HXUWFJFHSA-N 2 2 351.494 3.036 50 0 FGAALP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)C1 ZINC000048308306 136123398 /nfs/dbraw/zinc/12/33/98/136123398.db2.gz OXCFBBVJIHUYGW-HXUWFJFHSA-N 2 2 367.541 3.305 50 0 FGAALP CCC[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)C1 ZINC000048308306 136123399 /nfs/dbraw/zinc/12/33/99/136123399.db2.gz OXCFBBVJIHUYGW-HXUWFJFHSA-N 2 2 367.541 3.305 50 0 FGAALP COc1ccc(OCC[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000032717168 494007180 /nfs/dbraw/zinc/00/71/80/494007180.db2.gz QTNJGIANVQYPSD-UHFFFAOYSA-N 2 2 370.497 3.118 50 0 FGAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)CC2)C[C@H](C)O1 ZINC000077343819 494062704 /nfs/dbraw/zinc/06/27/04/494062704.db2.gz RINJCNRQIPIDPK-GASCZTMLSA-N 2 2 360.527 3.212 50 0 FGAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)CC2)C[C@H](C)O1 ZINC000077343819 494062705 /nfs/dbraw/zinc/06/27/05/494062705.db2.gz RINJCNRQIPIDPK-GASCZTMLSA-N 2 2 360.527 3.212 50 0 FGAALP COc1cccc(C[NH+]2CCC3(CCCO3)CC2)c1OCCn1cc[nH+]c1 ZINC000071759932 494099324 /nfs/dbraw/zinc/09/93/24/494099324.db2.gz BTTZSKWACFDQSR-UHFFFAOYSA-N 2 2 371.481 3.116 50 0 FGAALP CCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071776013 494100045 /nfs/dbraw/zinc/10/00/45/494100045.db2.gz FVAHRKDQODJHQS-IBGZPJMESA-N 2 2 372.557 3.063 50 0 FGAALP CCC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071776013 494100047 /nfs/dbraw/zinc/10/00/47/494100047.db2.gz FVAHRKDQODJHQS-IBGZPJMESA-N 2 2 372.557 3.063 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072408547 494165337 /nfs/dbraw/zinc/16/53/37/494165337.db2.gz MOQGYXXWODEYAI-HXUWFJFHSA-N 2 2 367.541 3.223 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072408547 494165342 /nfs/dbraw/zinc/16/53/42/494165342.db2.gz MOQGYXXWODEYAI-HXUWFJFHSA-N 2 2 367.541 3.223 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072440341 494176825 /nfs/dbraw/zinc/17/68/25/494176825.db2.gz DXDKTLYTDUMRPO-IBGZPJMESA-N 2 2 353.514 3.181 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072440341 494176828 /nfs/dbraw/zinc/17/68/28/494176828.db2.gz DXDKTLYTDUMRPO-IBGZPJMESA-N 2 2 353.514 3.181 50 0 FGAALP CCC[C@H](Nc1nc(CC[NH3+])nc2sc(C)c(C)c21)c1[nH+]ccn1C ZINC000065381375 494191144 /nfs/dbraw/zinc/19/11/44/494191144.db2.gz DRHQMBYAPWGVIY-ZDUSSCGKSA-N 2 2 358.515 3.496 50 0 FGAALP Cc1ccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1 ZINC000020873703 494481927 /nfs/dbraw/zinc/48/19/27/494481927.db2.gz DGXDILOQKPAPOC-UHFFFAOYSA-N 2 2 354.494 3.386 50 0 FGAALP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000056500423 494516161 /nfs/dbraw/zinc/51/61/61/494516161.db2.gz MCGFFDLVOLPWNF-UHFFFAOYSA-N 2 2 352.910 3.138 50 0 FGAALP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000056500423 494516167 /nfs/dbraw/zinc/51/61/67/494516167.db2.gz MCGFFDLVOLPWNF-UHFFFAOYSA-N 2 2 352.910 3.138 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091769496 494673228 /nfs/dbraw/zinc/67/32/28/494673228.db2.gz JTLNUXBVYPJDHP-IBGZPJMESA-N 2 2 364.497 3.002 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091769496 494673235 /nfs/dbraw/zinc/67/32/35/494673235.db2.gz JTLNUXBVYPJDHP-IBGZPJMESA-N 2 2 364.497 3.002 50 0 FGAALP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCc1c[nH+]cn1C1CC1 ZINC000584891274 507559157 /nfs/dbraw/zinc/55/91/57/507559157.db2.gz RKKLLHADUARRLK-UHFFFAOYSA-N 2 2 367.497 3.155 50 0 FGAALP CCCCc1[nH]c(C[N@@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)c[nH+]1 ZINC000072477831 535099396 /nfs/dbraw/zinc/09/93/96/535099396.db2.gz WTUYMDDUACSSFJ-UHFFFAOYSA-N 2 2 368.529 3.486 50 0 FGAALP CCCCc1[nH]c(C[N@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)c[nH+]1 ZINC000072477831 535099399 /nfs/dbraw/zinc/09/93/99/535099399.db2.gz WTUYMDDUACSSFJ-UHFFFAOYSA-N 2 2 368.529 3.486 50 0 FGAALP C[NH2+]CCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261491705 210006238 /nfs/dbraw/zinc/00/62/38/210006238.db2.gz DVOPVHVKUPTSPK-UHFFFAOYSA-N 2 2 369.900 3.346 50 0 FGAALP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000008013049 207215464 /nfs/dbraw/zinc/21/54/64/207215464.db2.gz BMRIJQTZOHICNP-UHFFFAOYSA-N 2 2 353.422 3.188 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000095353625 209024621 /nfs/dbraw/zinc/02/46/21/209024621.db2.gz XGKGXCHKHGHMOE-FQEVSTJZSA-N 2 2 366.440 3.239 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000095357655 209025798 /nfs/dbraw/zinc/02/57/98/209025798.db2.gz LTERXWWFORHWFQ-UHFFFAOYSA-N 2 2 373.476 3.385 50 0 FGAALP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383422 209042141 /nfs/dbraw/zinc/04/21/41/209042141.db2.gz CBNXLDGKYNZDMY-LJQANCHMSA-N 2 2 369.513 3.375 50 0 FGAALP Cc1nc(N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)cc(C(C)C)[nH+]1 ZINC000095512916 132213104 /nfs/dbraw/zinc/21/31/04/132213104.db2.gz SRPBREZBICUUJX-UHFFFAOYSA-N 2 2 366.469 3.203 50 0 FGAALP COc1cccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000000756632 132251717 /nfs/dbraw/zinc/25/17/17/132251717.db2.gz LOEAFKMIGWDIDS-UHFFFAOYSA-N 2 2 365.521 3.482 50 0 FGAALP CCCc1cc(N2CC[NH+](Cc3cccc(OC)c3F)CC2)nc(C)[nH+]1 ZINC000065488718 136136601 /nfs/dbraw/zinc/13/66/01/136136601.db2.gz VWIOVUTUCCSMJP-UHFFFAOYSA-N 2 2 358.461 3.207 50 0 FGAALP O=C(CCn1cc[nH+]c1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000058218845 493835466 /nfs/dbraw/zinc/83/54/66/493835466.db2.gz VYRNAIDSANHLBD-INIZCTEOSA-N 2 2 364.852 3.019 50 0 FGAALP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)on2)cc1 ZINC000069803547 494014106 /nfs/dbraw/zinc/01/41/06/494014106.db2.gz DKISFBKRHACYFT-GOSISDBHSA-N 2 2 355.482 3.194 50 0 FGAALP Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)on2)cc1 ZINC000069803547 494014108 /nfs/dbraw/zinc/01/41/08/494014108.db2.gz DKISFBKRHACYFT-GOSISDBHSA-N 2 2 355.482 3.194 50 0 FGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCCC1 ZINC000071774515 494100528 /nfs/dbraw/zinc/10/05/28/494100528.db2.gz JHDOJOWPRTYAIF-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCCC1 ZINC000071774515 494100530 /nfs/dbraw/zinc/10/05/30/494100530.db2.gz JHDOJOWPRTYAIF-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP CCCCc1[nH]c(CN2CCCn3nc(C[N@@H+]4CCC[C@@H]4C)cc3C2)c[nH+]1 ZINC000072145260 494133045 /nfs/dbraw/zinc/13/30/45/494133045.db2.gz SJQDFYKUIHKGLR-KRWDZBQOSA-N 2 2 370.545 3.339 50 0 FGAALP CCCCc1[nH]c(CN2CCCn3nc(C[N@H+]4CCC[C@@H]4C)cc3C2)c[nH+]1 ZINC000072145260 494133050 /nfs/dbraw/zinc/13/30/50/494133050.db2.gz SJQDFYKUIHKGLR-KRWDZBQOSA-N 2 2 370.545 3.339 50 0 FGAALP CCCCc1[nH]c(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000072412338 494166640 /nfs/dbraw/zinc/16/66/40/494166640.db2.gz MAOXTPJOPZCRLY-NRFANRHFSA-N 2 2 352.526 3.427 50 0 FGAALP CCCCc1[nH]cc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000072412338 494166644 /nfs/dbraw/zinc/16/66/44/494166644.db2.gz MAOXTPJOPZCRLY-NRFANRHFSA-N 2 2 352.526 3.427 50 0 FGAALP COCCC[N@H+](Cc1cnc(C2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000072432993 494173929 /nfs/dbraw/zinc/17/39/29/494173929.db2.gz ZSOXHYBUSFPYLP-UHFFFAOYSA-N 2 2 360.546 3.457 50 0 FGAALP COCCC[N@@H+](Cc1cnc(C2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC000072432993 494173934 /nfs/dbraw/zinc/17/39/34/494173934.db2.gz ZSOXHYBUSFPYLP-UHFFFAOYSA-N 2 2 360.546 3.457 50 0 FGAALP Cc1cc2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2o1 ZINC000014971717 494332231 /nfs/dbraw/zinc/33/22/31/494332231.db2.gz JLQLZNACTWHRSI-GOSISDBHSA-N 2 2 355.482 3.030 50 0 FGAALP Cc1cc2cc(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)ccc2o1 ZINC000014971717 494332237 /nfs/dbraw/zinc/33/22/37/494332237.db2.gz JLQLZNACTWHRSI-GOSISDBHSA-N 2 2 355.482 3.030 50 0 FGAALP CCC[NH+](CCC)CCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158607 494489658 /nfs/dbraw/zinc/48/96/58/494489658.db2.gz KREKBWPZUAYOTL-UHFFFAOYSA-N 2 2 371.529 3.018 50 0 FGAALP COC(=O)c1cccc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)n1 ZINC000067804561 494651455 /nfs/dbraw/zinc/65/14/55/494651455.db2.gz PHFSEAPCUAZAMG-UHFFFAOYSA-N 2 2 364.449 3.433 50 0 FGAALP COC(=O)c1cccc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)n1 ZINC000067804561 494651462 /nfs/dbraw/zinc/65/14/62/494651462.db2.gz PHFSEAPCUAZAMG-UHFFFAOYSA-N 2 2 364.449 3.433 50 0 FGAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)[nH]1 ZINC000252502599 497307253 /nfs/dbraw/zinc/30/72/53/497307253.db2.gz URJHKBARSVEYKK-GOSISDBHSA-N 2 2 358.449 3.499 50 0 FGAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C2)[nH]1 ZINC000252502599 497307258 /nfs/dbraw/zinc/30/72/58/497307258.db2.gz URJHKBARSVEYKK-GOSISDBHSA-N 2 2 358.449 3.499 50 0 FGAALP CCc1oc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1C[NH+]1CCCC1 ZINC000426647046 500300453 /nfs/dbraw/zinc/30/04/53/500300453.db2.gz JBCYEZTUDLKOFT-KRWDZBQOSA-N 2 2 370.497 3.187 50 0 FGAALP Cc1[nH]c(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c(C)[nH+]1 ZINC000584894879 507560739 /nfs/dbraw/zinc/56/07/39/507560739.db2.gz GOZLDIGUXLLRNR-UHFFFAOYSA-N 2 2 352.482 3.394 50 0 FGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000082098367 523188159 /nfs/dbraw/zinc/18/81/59/523188159.db2.gz KPOMRCIPJQOPHH-UHFFFAOYSA-N 2 2 357.502 3.175 50 0 FGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000082137050 523189515 /nfs/dbraw/zinc/18/95/15/523189515.db2.gz WQRHRIZXTPOGRO-UHFFFAOYSA-N 2 2 353.514 3.273 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000091643514 523204110 /nfs/dbraw/zinc/20/41/10/523204110.db2.gz UJLSVEWFSLWOHO-UHFFFAOYSA-N 2 2 370.526 3.292 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 ZINC000095354670 535936505 /nfs/dbraw/zinc/93/65/05/535936505.db2.gz XHDUNOGXPBYHOE-CYBMUJFWSA-N 2 2 351.857 3.016 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)on1 ZINC000221902549 568472694 /nfs/dbraw/zinc/47/26/94/568472694.db2.gz BUJHZIAAAMDVMV-PZJWPPBQSA-N 2 2 368.525 3.154 50 0 FGAALP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)on1 ZINC000221902549 568472695 /nfs/dbraw/zinc/47/26/95/568472695.db2.gz BUJHZIAAAMDVMV-PZJWPPBQSA-N 2 2 368.525 3.154 50 0 FGAALP COCCOc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)cn1 ZINC000108490344 570907274 /nfs/dbraw/zinc/90/72/74/570907274.db2.gz KRRGRWKQMQCECU-GHTZIAJQSA-N 2 2 369.509 3.107 50 0 FGAALP COCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cn1 ZINC000108490344 570907279 /nfs/dbraw/zinc/90/72/79/570907279.db2.gz KRRGRWKQMQCECU-GHTZIAJQSA-N 2 2 369.509 3.107 50 0 FGAALP C[C@]1(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)CCC[NH2+]C1 ZINC000096138606 209118765 /nfs/dbraw/zinc/11/87/65/209118765.db2.gz GWYAOHOYCOSKRH-BUNACBEFSA-N 2 2 354.498 3.343 50 0 FGAALP Cc1[nH]c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c[nH+]1 ZINC000011664682 207317461 /nfs/dbraw/zinc/31/74/61/207317461.db2.gz SDEFDAUMHBFJQU-INIZCTEOSA-N 2 2 358.461 3.166 50 0 FGAALP Cc1[nH]c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c[nH+]1 ZINC000011664682 207317466 /nfs/dbraw/zinc/31/74/66/207317466.db2.gz SDEFDAUMHBFJQU-INIZCTEOSA-N 2 2 358.461 3.166 50 0 FGAALP CC[N@@H+](Cc1ccon1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011817676 207322810 /nfs/dbraw/zinc/32/28/10/207322810.db2.gz TYIBBCZMIAJOQM-LJQANCHMSA-N 2 2 357.498 3.460 50 0 FGAALP CC[N@H+](Cc1ccon1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011817676 207322814 /nfs/dbraw/zinc/32/28/14/207322814.db2.gz TYIBBCZMIAJOQM-LJQANCHMSA-N 2 2 357.498 3.460 50 0 FGAALP CC[NH+](Cc1ccon1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011817676 207322819 /nfs/dbraw/zinc/32/28/19/207322819.db2.gz TYIBBCZMIAJOQM-LJQANCHMSA-N 2 2 357.498 3.460 50 0 FGAALP CC[NH+](Cc1ccon1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011817676 207322822 /nfs/dbraw/zinc/32/28/22/207322822.db2.gz TYIBBCZMIAJOQM-LJQANCHMSA-N 2 2 357.498 3.460 50 0 FGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000095370156 209032717 /nfs/dbraw/zinc/03/27/17/209032717.db2.gz BSVAFNFRZLHTQI-IBGZPJMESA-N 2 2 354.498 3.179 50 0 FGAALP CCCCn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000095370156 209032720 /nfs/dbraw/zinc/03/27/20/209032720.db2.gz BSVAFNFRZLHTQI-IBGZPJMESA-N 2 2 354.498 3.179 50 0 FGAALP CCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)[nH+]1 ZINC000095372517 132208801 /nfs/dbraw/zinc/20/88/01/132208801.db2.gz OWTMDLNHODGJCB-HNNXBMFYSA-N 2 2 368.510 3.433 50 0 FGAALP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000063832255 136133107 /nfs/dbraw/zinc/13/31/07/136133107.db2.gz CQLKUESHQHJGHI-MRXNPFEDSA-N 2 2 364.497 3.245 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428315 493791047 /nfs/dbraw/zinc/79/10/47/493791047.db2.gz MAXBOKKVMQZMNC-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cc1 ZINC000072433413 494173881 /nfs/dbraw/zinc/17/38/81/494173881.db2.gz INMMUZNSPFQYGM-HXUWFJFHSA-N 2 2 367.541 3.353 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cc1 ZINC000072433413 494173886 /nfs/dbraw/zinc/17/38/86/494173886.db2.gz INMMUZNSPFQYGM-HXUWFJFHSA-N 2 2 367.541 3.353 50 0 FGAALP c1ccc(N2CCN(c3ncccc3C[NH2+]C[C@@H]3CC=CCC3)CC2)[nH+]c1 ZINC000011817631 494192463 /nfs/dbraw/zinc/19/24/63/494192463.db2.gz AGHYLUHORIKRFO-LJQANCHMSA-N 2 2 363.509 3.249 50 0 FGAALP CSCCc1c(-c2ccccc2)[nH+]cn1CCN1CC[NH+](C(C)C)CC1 ZINC000065404514 494192995 /nfs/dbraw/zinc/19/29/95/494192995.db2.gz RSCFQKSTAKHDPY-UHFFFAOYSA-N 2 2 372.582 3.482 50 0 FGAALP CC(C)(C)C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020906504 494482558 /nfs/dbraw/zinc/48/25/58/494482558.db2.gz KESKYWZFDJKPME-IBGZPJMESA-N 2 2 373.541 3.043 50 0 FGAALP CC(C)(C)C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020906504 494482561 /nfs/dbraw/zinc/48/25/61/494482561.db2.gz KESKYWZFDJKPME-IBGZPJMESA-N 2 2 373.541 3.043 50 0 FGAALP Cc1ccc(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)c2ccccc12 ZINC000067724462 494624730 /nfs/dbraw/zinc/62/47/30/494624730.db2.gz MPFZUOBUPUNSHI-UHFFFAOYSA-N 2 2 365.521 3.390 50 0 FGAALP Cc1ccc(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c2ccccc12 ZINC000067724462 494624738 /nfs/dbraw/zinc/62/47/38/494624738.db2.gz MPFZUOBUPUNSHI-UHFFFAOYSA-N 2 2 365.521 3.390 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025421083 494738326 /nfs/dbraw/zinc/73/83/26/494738326.db2.gz ZRFDRNZYEVCITE-IBGZPJMESA-N 2 2 350.466 3.018 50 0 FGAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2nc(-c3ccncc3)no2)CC1 ZINC000244678599 497368085 /nfs/dbraw/zinc/36/80/85/497368085.db2.gz IGOFXSUTYLKBCT-UHFFFAOYSA-N 2 2 352.442 3.289 50 0 FGAALP CCCC[C@H]1C[N@@H+](CCC(=O)NCc2[nH]cc(C)[nH+]2)Cc2ccccc2O1 ZINC000299759134 497913423 /nfs/dbraw/zinc/91/34/23/497913423.db2.gz OUIVIKLFNJHHNR-SFHVURJKSA-N 2 2 370.497 3.178 50 0 FGAALP CCCCc1[nH]c(CN2CCCn3nc(C[N@@H+]4CCC[C@H]4C)cc3C2)c[nH+]1 ZINC000244811707 521297484 /nfs/dbraw/zinc/29/74/84/521297484.db2.gz SJQDFYKUIHKGLR-QGZVFWFLSA-N 2 2 370.545 3.339 50 0 FGAALP CCCCc1[nH]c(CN2CCCn3nc(C[N@H+]4CCC[C@H]4C)cc3C2)c[nH+]1 ZINC000244811707 521297493 /nfs/dbraw/zinc/29/74/93/521297493.db2.gz SJQDFYKUIHKGLR-QGZVFWFLSA-N 2 2 370.545 3.339 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)o1 ZINC000082121897 523925231 /nfs/dbraw/zinc/92/52/31/523925231.db2.gz VEFACIFKGJDAKP-OAQYLSRUSA-N 2 2 370.497 3.012 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)o1 ZINC000082121897 523925232 /nfs/dbraw/zinc/92/52/32/523925232.db2.gz VEFACIFKGJDAKP-OAQYLSRUSA-N 2 2 370.497 3.012 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)o1 ZINC000082121897 523925233 /nfs/dbraw/zinc/92/52/33/523925233.db2.gz VEFACIFKGJDAKP-OAQYLSRUSA-N 2 2 370.497 3.012 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)o1 ZINC000082121897 523925234 /nfs/dbraw/zinc/92/52/34/523925234.db2.gz VEFACIFKGJDAKP-OAQYLSRUSA-N 2 2 370.497 3.012 50 0 FGAALP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000106130362 209271512 /nfs/dbraw/zinc/27/15/12/209271512.db2.gz AQABXAQZRHCZIE-UHFFFAOYSA-N 2 2 358.511 3.225 50 0 FGAALP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000106130362 209271515 /nfs/dbraw/zinc/27/15/15/209271515.db2.gz AQABXAQZRHCZIE-UHFFFAOYSA-N 2 2 358.511 3.225 50 0 FGAALP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011816825 207324766 /nfs/dbraw/zinc/32/47/66/207324766.db2.gz XFSDUEKBLYLCHD-ILZRLUQISA-N 2 2 365.521 3.095 50 0 FGAALP C/C(=C\c1ccccc1)C[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011816825 207324771 /nfs/dbraw/zinc/32/47/71/207324771.db2.gz XFSDUEKBLYLCHD-ILZRLUQISA-N 2 2 365.521 3.095 50 0 FGAALP C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011816825 207324776 /nfs/dbraw/zinc/32/47/76/207324776.db2.gz XFSDUEKBLYLCHD-ILZRLUQISA-N 2 2 365.521 3.095 50 0 FGAALP C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011816825 207324781 /nfs/dbraw/zinc/32/47/81/207324781.db2.gz XFSDUEKBLYLCHD-ILZRLUQISA-N 2 2 365.521 3.095 50 0 FGAALP Cc1ccccc1COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000040719512 208263356 /nfs/dbraw/zinc/26/33/56/208263356.db2.gz CXCXTFWPOUEXBE-UHFFFAOYSA-N 2 2 354.494 3.386 50 0 FGAALP Cc1[nH+]ccn1-c1cc(C[NH2+]Cc2cccc3c2OCCCO3)ccn1 ZINC000048354780 208402860 /nfs/dbraw/zinc/40/28/60/208402860.db2.gz NZDFGTMARYRLPY-UHFFFAOYSA-N 2 2 350.422 3.027 50 0 FGAALP CN(C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1)c1ccccc1 ZINC000095352385 209022928 /nfs/dbraw/zinc/02/29/28/209022928.db2.gz NYMOOCYEVQKUHM-SFHVURJKSA-N 2 2 369.513 3.271 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095352680 209023130 /nfs/dbraw/zinc/02/31/30/209023130.db2.gz LHUBLCRUZBMNBH-INIZCTEOSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095352680 209023134 /nfs/dbraw/zinc/02/31/34/209023134.db2.gz LHUBLCRUZBMNBH-INIZCTEOSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095379244 209039627 /nfs/dbraw/zinc/03/96/27/209039627.db2.gz HHISMMJCGOIBIR-LJQANCHMSA-N 2 2 354.498 3.163 50 0 FGAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000095519962 209072488 /nfs/dbraw/zinc/07/24/88/209072488.db2.gz KYLNFGOBVMOUQH-UHFFFAOYSA-N 2 2 350.510 3.136 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC000095499837 132211943 /nfs/dbraw/zinc/21/19/43/132211943.db2.gz ITRJPFGHMVACSI-UHFFFAOYSA-N 3 2 353.514 3.103 50 0 FGAALP Cc1ccc(SC2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)cc1 ZINC000222756831 132277433 /nfs/dbraw/zinc/27/74/33/132277433.db2.gz NMVQRRWBXKTYAR-UHFFFAOYSA-N 2 2 369.538 3.333 50 0 FGAALP Cc1cc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000003418293 493843472 /nfs/dbraw/zinc/84/34/72/493843472.db2.gz QFXPJIVKFIFQME-INIZCTEOSA-N 2 2 365.905 3.388 50 0 FGAALP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CCc1[nH+]ccn1C)OCO2 ZINC000077302319 494051882 /nfs/dbraw/zinc/05/18/82/494051882.db2.gz JZGKYSVZCGDIKR-INIZCTEOSA-N 2 2 357.454 3.145 50 0 FGAALP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CCc1[nH+]ccn1C)OCO2 ZINC000077302319 494051884 /nfs/dbraw/zinc/05/18/84/494051884.db2.gz JZGKYSVZCGDIKR-INIZCTEOSA-N 2 2 357.454 3.145 50 0 FGAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077387103 494073508 /nfs/dbraw/zinc/07/35/08/494073508.db2.gz CDSYGPWRJXZCPP-FQEVSTJZSA-N 2 2 363.465 3.462 50 0 FGAALP CCc1[nH]c(C[N@@H+]2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)c(C)[nH+]1 ZINC000071551999 494094575 /nfs/dbraw/zinc/09/45/75/494094575.db2.gz CXEVXUYMOQWNFQ-GOSISDBHSA-N 2 2 354.498 3.294 50 0 FGAALP CCc1[nH]c(C[N@H+]2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)c(C)[nH+]1 ZINC000071551999 494094578 /nfs/dbraw/zinc/09/45/78/494094578.db2.gz CXEVXUYMOQWNFQ-GOSISDBHSA-N 2 2 354.498 3.294 50 0 FGAALP CC[C@H]1CN(Cc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1C(C)C ZINC000072143171 494133661 /nfs/dbraw/zinc/13/36/61/494133661.db2.gz HCCHMFKZSKBGDL-FQEVSTJZSA-N 2 2 356.514 3.267 50 0 FGAALP CC[C@H]1CN(Cc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1C(C)C ZINC000072143171 494133666 /nfs/dbraw/zinc/13/36/66/494133666.db2.gz HCCHMFKZSKBGDL-FQEVSTJZSA-N 2 2 356.514 3.267 50 0 FGAALP C[NH+](C)Cc1cc2n(n1)CCC[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000072146751 494134514 /nfs/dbraw/zinc/13/45/14/494134514.db2.gz WRGZWVLUJVCQST-UHFFFAOYSA-N 2 2 361.493 3.413 50 0 FGAALP C[NH+](C)Cc1cc2n(n1)CCC[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC000072146751 494134518 /nfs/dbraw/zinc/13/45/18/494134518.db2.gz WRGZWVLUJVCQST-UHFFFAOYSA-N 2 2 361.493 3.413 50 0 FGAALP O=C(N[C@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000072432608 494173667 /nfs/dbraw/zinc/17/36/67/494173667.db2.gz YCDZATHMQBMXIE-RTWAWAEBSA-N 2 2 372.472 3.095 50 0 FGAALP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000012788257 494258987 /nfs/dbraw/zinc/25/89/87/494258987.db2.gz ABJYVOGZGFOWNX-UHFFFAOYSA-N 2 2 359.543 3.046 50 0 FGAALP CCCC[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067541816 494562324 /nfs/dbraw/zinc/56/23/24/494562324.db2.gz ILLUJCODZZGQBH-SFHVURJKSA-N 2 2 353.514 3.472 50 0 FGAALP C[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067675310 494605542 /nfs/dbraw/zinc/60/55/42/494605542.db2.gz QWBSMNRJTPUTEG-UHFFFAOYSA-N 2 2 373.884 3.396 50 0 FGAALP C[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067675310 494605545 /nfs/dbraw/zinc/60/55/45/494605545.db2.gz QWBSMNRJTPUTEG-UHFFFAOYSA-N 2 2 373.884 3.396 50 0 FGAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000100797225 495066391 /nfs/dbraw/zinc/06/63/91/495066391.db2.gz PKOKNNIZPJQNRU-UHFFFAOYSA-N 2 2 368.477 3.280 50 0 FGAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[N@H+]1CCc2ccccc2C1 ZINC000100797225 495066393 /nfs/dbraw/zinc/06/63/93/495066393.db2.gz PKOKNNIZPJQNRU-UHFFFAOYSA-N 2 2 368.477 3.280 50 0 FGAALP c1cn(CCCOc2ccccc2CN2CCC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000216472077 496989649 /nfs/dbraw/zinc/98/96/49/496989649.db2.gz SIWHQGXVMVJTNL-FQEVSTJZSA-N 2 2 354.498 3.022 50 0 FGAALP c1cn(CCCOc2ccccc2CN2CCC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000216472077 496989651 /nfs/dbraw/zinc/98/96/51/496989651.db2.gz SIWHQGXVMVJTNL-FQEVSTJZSA-N 2 2 354.498 3.022 50 0 FGAALP Fc1ccc([C@@H]2CC[N@@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000243914924 497361648 /nfs/dbraw/zinc/36/16/48/497361648.db2.gz BKSDHMWRYWHKOU-QFIPXVFZSA-N 2 2 353.485 3.390 50 0 FGAALP Fc1ccc([C@@H]2CC[N@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000243914924 497361655 /nfs/dbraw/zinc/36/16/55/497361655.db2.gz BKSDHMWRYWHKOU-QFIPXVFZSA-N 2 2 353.485 3.390 50 0 FGAALP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)o1 ZINC000299768411 497916969 /nfs/dbraw/zinc/91/69/69/497916969.db2.gz KPCGCDYDAVURCF-IBGZPJMESA-N 2 2 367.493 3.052 50 0 FGAALP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)o1 ZINC000299768411 497916972 /nfs/dbraw/zinc/91/69/72/497916972.db2.gz KPCGCDYDAVURCF-IBGZPJMESA-N 2 2 367.493 3.052 50 0 FGAALP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000299768411 497916975 /nfs/dbraw/zinc/91/69/75/497916975.db2.gz KPCGCDYDAVURCF-IBGZPJMESA-N 2 2 367.493 3.052 50 0 FGAALP CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000299768411 497916981 /nfs/dbraw/zinc/91/69/81/497916981.db2.gz KPCGCDYDAVURCF-IBGZPJMESA-N 2 2 367.493 3.052 50 0 FGAALP CCn1cc(C[N@@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cn1 ZINC000575547583 505979901 /nfs/dbraw/zinc/97/99/01/505979901.db2.gz JYQOTTPCUKYPPB-GOSISDBHSA-N 2 2 364.497 3.382 50 0 FGAALP CCn1cc(C[N@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cn1 ZINC000575547583 505979904 /nfs/dbraw/zinc/97/99/04/505979904.db2.gz JYQOTTPCUKYPPB-GOSISDBHSA-N 2 2 364.497 3.382 50 0 FGAALP Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426497320 500279852 /nfs/dbraw/zinc/27/98/52/500279852.db2.gz VUFGRCBXRBNESP-FQEVSTJZSA-N 2 2 366.509 3.035 50 0 FGAALP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000426602331 500294148 /nfs/dbraw/zinc/29/41/48/500294148.db2.gz DDHBVQVEBCNQGS-QFIPXVFZSA-N 2 2 374.488 3.375 50 0 FGAALP COc1ccc(NC(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000020889719 524562747 /nfs/dbraw/zinc/56/27/47/524562747.db2.gz CXSGFUOFVZNYLC-UHFFFAOYSA-N 2 2 374.529 3.157 50 0 FGAALP COc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000020058012 525933482 /nfs/dbraw/zinc/93/34/82/525933482.db2.gz WELXXROVTBRSSQ-UHFFFAOYSA-N 2 2 365.521 3.482 50 0 FGAALP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c(F)c1 ZINC000092768739 571198983 /nfs/dbraw/zinc/19/89/83/571198983.db2.gz ICOATPMPTASEPX-LJQANCHMSA-N 2 2 363.864 3.162 50 0 FGAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@@H+](Cc2cccc(F)c2)CCO3)CC1 ZINC000299770541 210017365 /nfs/dbraw/zinc/01/73/65/210017365.db2.gz RUVXTKRZEOBSGA-UHFFFAOYSA-N 2 2 370.468 3.134 50 0 FGAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@H+](Cc2cccc(F)c2)CCO3)CC1 ZINC000299770541 210017369 /nfs/dbraw/zinc/01/73/69/210017369.db2.gz RUVXTKRZEOBSGA-UHFFFAOYSA-N 2 2 370.468 3.134 50 0 FGAALP COCC[N@@H+]1CC[C@H](Cn2c[nH+]c(-c3ccccc3)c2CCSC)C1 ZINC000065383051 221207818 /nfs/dbraw/zinc/20/78/18/221207818.db2.gz QIVSKXKQFLGZNO-KRWDZBQOSA-N 2 2 359.539 3.424 50 0 FGAALP COCC[N@H+]1CC[C@H](Cn2c[nH+]c(-c3ccccc3)c2CCSC)C1 ZINC000065383051 221207819 /nfs/dbraw/zinc/20/78/19/221207819.db2.gz QIVSKXKQFLGZNO-KRWDZBQOSA-N 2 2 359.539 3.424 50 0 FGAALP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514205 221258583 /nfs/dbraw/zinc/25/85/83/221258583.db2.gz VFHRGGYEFZCHIP-OAQYLSRUSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514205 221258585 /nfs/dbraw/zinc/25/85/85/221258585.db2.gz VFHRGGYEFZCHIP-OAQYLSRUSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514205 221258586 /nfs/dbraw/zinc/25/85/86/221258586.db2.gz VFHRGGYEFZCHIP-OAQYLSRUSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514205 221258588 /nfs/dbraw/zinc/25/85/88/221258588.db2.gz VFHRGGYEFZCHIP-OAQYLSRUSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1cc(N2CC[NH+](Cc3nn(C)c4cccc(Cl)c34)CC2)cc[nH+]1 ZINC000215938034 132270781 /nfs/dbraw/zinc/27/07/81/132270781.db2.gz CHDVGIVQBOQCLF-UHFFFAOYSA-N 2 2 355.873 3.252 50 0 FGAALP CCC(CC)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000097287640 222173576 /nfs/dbraw/zinc/17/35/76/222173576.db2.gz ZSNFOVWOHJJZHQ-NRFANRHFSA-N 2 2 356.514 3.099 50 0 FGAALP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000097642265 222201482 /nfs/dbraw/zinc/20/14/82/222201482.db2.gz YUCCQKMGFHWJIX-RJYAGPCLSA-N 2 2 354.498 3.437 50 0 FGAALP C[N@H+]1CCCC[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000097642265 222201485 /nfs/dbraw/zinc/20/14/85/222201485.db2.gz YUCCQKMGFHWJIX-RJYAGPCLSA-N 2 2 354.498 3.437 50 0 FGAALP O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097797565 222214687 /nfs/dbraw/zinc/21/46/87/222214687.db2.gz NGPZVEACNKFQFU-UHFFFAOYSA-N 2 2 371.510 3.122 50 0 FGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077287987 494048587 /nfs/dbraw/zinc/04/85/87/494048587.db2.gz JFIFZADXLDPFPF-SFHVURJKSA-N 2 2 362.481 3.259 50 0 FGAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077287987 494048589 /nfs/dbraw/zinc/04/85/89/494048589.db2.gz JFIFZADXLDPFPF-SFHVURJKSA-N 2 2 362.481 3.259 50 0 FGAALP Cc1cc(NCC[NH+]2CCOCC2)c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000072286166 494147525 /nfs/dbraw/zinc/14/75/25/494147525.db2.gz JXQFPRXYPCPGJH-UHFFFAOYSA-N 2 2 355.360 3.186 50 0 FGAALP Cc1ccsc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072419532 494167804 /nfs/dbraw/zinc/16/78/04/494167804.db2.gz RIVHXXBSBVJHLN-MRXNPFEDSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072419532 494167805 /nfs/dbraw/zinc/16/78/05/494167805.db2.gz RIVHXXBSBVJHLN-MRXNPFEDSA-N 2 2 359.543 3.160 50 0 FGAALP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000072429628 494173076 /nfs/dbraw/zinc/17/30/76/494173076.db2.gz KYIFPPPIABIKHC-HSZRJFAPSA-N 2 2 368.521 3.197 50 0 FGAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000072429628 494173082 /nfs/dbraw/zinc/17/30/82/494173082.db2.gz KYIFPPPIABIKHC-HSZRJFAPSA-N 2 2 368.521 3.197 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000072429754 494173098 /nfs/dbraw/zinc/17/30/98/494173098.db2.gz JDFWYADUUXXKED-QGZVFWFLSA-N 2 2 357.502 3.082 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)o1 ZINC000072429754 494173103 /nfs/dbraw/zinc/17/31/03/494173103.db2.gz JDFWYADUUXXKED-QGZVFWFLSA-N 2 2 357.502 3.082 50 0 FGAALP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000011873430 494195107 /nfs/dbraw/zinc/19/51/07/494195107.db2.gz MJLKXHAVIAVBJR-DHIUTWEWSA-N 2 2 367.537 3.315 50 0 FGAALP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000011873430 494195111 /nfs/dbraw/zinc/19/51/11/494195111.db2.gz MJLKXHAVIAVBJR-DHIUTWEWSA-N 2 2 367.537 3.315 50 0 FGAALP CC(C)c1ccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000011873430 494195115 /nfs/dbraw/zinc/19/51/15/494195115.db2.gz MJLKXHAVIAVBJR-DHIUTWEWSA-N 2 2 367.537 3.315 50 0 FGAALP CC(C)c1ccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000011873430 494195119 /nfs/dbraw/zinc/19/51/19/494195119.db2.gz MJLKXHAVIAVBJR-DHIUTWEWSA-N 2 2 367.537 3.315 50 0 FGAALP CC(C)c1noc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)n1 ZINC000091849258 494705015 /nfs/dbraw/zinc/70/50/15/494705015.db2.gz MFSUVEQYZIFNSP-UHFFFAOYSA-N 2 2 372.498 3.274 50 0 FGAALP O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1CCc1c[nH+]c[nH]1 ZINC000091915363 494721138 /nfs/dbraw/zinc/72/11/38/494721138.db2.gz OOZAQHHGGGGOAC-GOSISDBHSA-N 2 2 356.514 3.013 50 0 FGAALP O=C1CCC2(CC[NH+](C[C@@H]3CC=CCC3)CC2)CN1CCc1c[nH]c[nH+]1 ZINC000091915363 494721148 /nfs/dbraw/zinc/72/11/48/494721148.db2.gz OOZAQHHGGGGOAC-GOSISDBHSA-N 2 2 356.514 3.013 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000095368782 494966219 /nfs/dbraw/zinc/96/62/19/494966219.db2.gz RFXOQFVDIRBDFW-UHFFFAOYSA-N 2 2 368.525 3.174 50 0 FGAALP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2c(Cl)ccc(O)c2Cl)CC1 ZINC000223602609 497039828 /nfs/dbraw/zinc/03/98/28/497039828.db2.gz ZSDCVTYMGYWYJB-UHFFFAOYSA-N 2 2 373.324 3.369 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091695033 522001757 /nfs/dbraw/zinc/00/17/57/522001757.db2.gz MKACAKNBGQUSCQ-UHFFFAOYSA-N 2 2 362.481 3.371 50 0 FGAALP Fc1ccc(-n2cc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)cn2)cc1 ZINC000670447589 571351210 /nfs/dbraw/zinc/35/12/10/571351210.db2.gz UPOOFWSWSBZAGT-UHFFFAOYSA-N 2 2 352.413 3.450 50 0 FGAALP O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000299781959 210024774 /nfs/dbraw/zinc/02/47/74/210024774.db2.gz VBOUEXZAAONDON-UHFFFAOYSA-N 2 2 371.510 3.122 50 0 FGAALP Cc1cccc(Cn2nc(C[NH2+]CCC[NH+](C)C)c(-c3ccccc3)n2)c1 ZINC000261491817 223074859 /nfs/dbraw/zinc/07/48/59/223074859.db2.gz LBFVMQMTOAHVOT-UHFFFAOYSA-N 2 2 363.509 3.343 50 0 FGAALP Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CC[NH2+]CCO)c1 ZINC000040720086 211755404 /nfs/dbraw/zinc/75/54/04/211755404.db2.gz XGHAKVXXUXGEEA-UHFFFAOYSA-N 2 2 364.489 3.399 50 0 FGAALP C[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000001306931 210340499 /nfs/dbraw/zinc/34/04/99/210340499.db2.gz DYHXPTWXDVZTSN-MRXNPFEDSA-N 2 2 362.477 3.460 50 0 FGAALP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](Cc3cccc(O)c3)CC2)cc1C ZINC000065505513 221228434 /nfs/dbraw/zinc/22/84/34/221228434.db2.gz GAOJRTSFDPEBAJ-UHFFFAOYSA-N 2 2 367.493 3.202 50 0 FGAALP O=C(CC1CC[NH+](Cc2ccccc2)CC1)Nc1c[nH+]c2n1CCCC2 ZINC000067472954 221255448 /nfs/dbraw/zinc/25/54/48/221255448.db2.gz PHGMNVCIUHJSSA-UHFFFAOYSA-N 2 2 352.482 3.460 50 0 FGAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067847511 221293779 /nfs/dbraw/zinc/29/37/79/221293779.db2.gz CQWVFTAHLKDANW-OAHLLOKOSA-N 2 2 359.470 3.146 50 0 FGAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c(OC)c1C ZINC000067847511 221293781 /nfs/dbraw/zinc/29/37/81/221293781.db2.gz CQWVFTAHLKDANW-OAHLLOKOSA-N 2 2 359.470 3.146 50 0 FGAALP Cc1ccc(-c2ccnc(NCc3c(C)ncc4c3CC[NH2+]C4)n2)c(C)[nH+]1 ZINC000071755130 221364998 /nfs/dbraw/zinc/36/49/98/221364998.db2.gz ISSDARGBZZEROX-UHFFFAOYSA-N 2 2 360.465 3.117 50 0 FGAALP Cc1cc(C2CCC2)nc(N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)n1 ZINC000095518950 132213987 /nfs/dbraw/zinc/21/39/87/132213987.db2.gz CZWZZZBCADIWTR-UHFFFAOYSA-N 2 2 368.529 3.195 50 0 FGAALP O[C@H](C[NH2+]CCCn1cc[nH+]c1)COC(c1ccccc1)c1ccccc1 ZINC000003324519 493839020 /nfs/dbraw/zinc/83/90/20/493839020.db2.gz FGKXNQNQWKFCBX-OAQYLSRUSA-N 2 2 365.477 3.030 50 0 FGAALP Cc1nc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c(C)c(C)[nH+]1 ZINC000082161319 493980965 /nfs/dbraw/zinc/98/09/65/493980965.db2.gz YTFFKTZYPYZAEM-UHFFFAOYSA-N 2 2 354.502 3.359 50 0 FGAALP Cc1nc(NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)c(C)c(C)[nH+]1 ZINC000082161319 493980968 /nfs/dbraw/zinc/98/09/68/493980968.db2.gz YTFFKTZYPYZAEM-UHFFFAOYSA-N 2 2 354.502 3.359 50 0 FGAALP CC1CC[NH+](Cn2c3ccccc3n(C[NH+]3CCC(C)CC3)c2=O)CC1 ZINC000007000801 493993082 /nfs/dbraw/zinc/99/30/82/493993082.db2.gz FJAHDFBUFAHTEN-UHFFFAOYSA-N 2 2 356.514 3.182 50 0 FGAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)s1 ZINC000077486750 494093791 /nfs/dbraw/zinc/09/37/91/494093791.db2.gz JHHLEFURTSGFCK-UHFFFAOYSA-N 2 2 359.543 3.160 50 0 FGAALP CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000009503030 494125702 /nfs/dbraw/zinc/12/57/02/494125702.db2.gz XJQYSYLXXNHTPR-UHFFFAOYSA-N 2 2 374.916 3.315 50 0 FGAALP CC(C)(C)NC(=O)C[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000009503030 494125705 /nfs/dbraw/zinc/12/57/05/494125705.db2.gz XJQYSYLXXNHTPR-UHFFFAOYSA-N 2 2 374.916 3.315 50 0 FGAALP Cc1[nH+]ccn1CCN(C)c1nc(-c2ccc(Cl)cc2)nc2c1C[NH2+]C2 ZINC000072166381 494140892 /nfs/dbraw/zinc/14/08/92/494140892.db2.gz PSCNHRIPDSJESP-UHFFFAOYSA-N 2 2 368.872 3.042 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000040719518 494146501 /nfs/dbraw/zinc/14/65/01/494146501.db2.gz NORAYELQMXKKNG-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000072410261 494167153 /nfs/dbraw/zinc/16/71/53/494167153.db2.gz OPNMBVLQMBFGQW-HXUWFJFHSA-N 2 2 363.509 3.410 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000072410261 494167158 /nfs/dbraw/zinc/16/71/58/494167158.db2.gz OPNMBVLQMBFGQW-HXUWFJFHSA-N 2 2 363.509 3.410 50 0 FGAALP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC000012306251 494221330 /nfs/dbraw/zinc/22/13/30/494221330.db2.gz QSEKNTBFUUHULX-FQEVSTJZSA-N 2 2 358.461 3.046 50 0 FGAALP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC000012306251 494221335 /nfs/dbraw/zinc/22/13/35/494221335.db2.gz QSEKNTBFUUHULX-FQEVSTJZSA-N 2 2 358.461 3.046 50 0 FGAALP CCC(CC)C[N@@H+]1CCOc2ccc(C[NH+]3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301143 /nfs/dbraw/zinc/30/11/43/494301143.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 2 2 374.525 3.455 50 0 FGAALP CCC(CC)C[N@H+]1CCOc2ccc(C[NH+]3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301146 /nfs/dbraw/zinc/30/11/46/494301146.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 2 2 374.525 3.455 50 0 FGAALP CCC(CC)C[NH+]1CCOc2ccc(C[N@@H+]3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301150 /nfs/dbraw/zinc/30/11/50/494301150.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 2 2 374.525 3.455 50 0 FGAALP CCC(CC)C[NH+]1CCOc2ccc(C[N@H+]3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301155 /nfs/dbraw/zinc/30/11/55/494301155.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 2 2 374.525 3.455 50 0 FGAALP CCN(C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969736 494386009 /nfs/dbraw/zinc/38/60/09/494386009.db2.gz VEUADMIEZRXZOT-WBVHZDCISA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969736 494386012 /nfs/dbraw/zinc/38/60/12/494386012.db2.gz VEUADMIEZRXZOT-WBVHZDCISA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969736 494386017 /nfs/dbraw/zinc/38/60/17/494386017.db2.gz VEUADMIEZRXZOT-WBVHZDCISA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969736 494386021 /nfs/dbraw/zinc/38/60/21/494386021.db2.gz VEUADMIEZRXZOT-WBVHZDCISA-N 2 2 374.554 3.311 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000091746504 494665259 /nfs/dbraw/zinc/66/52/59/494665259.db2.gz DYZBJWOZAUXMHG-UHFFFAOYSA-N 2 2 368.460 3.062 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095354314 494961778 /nfs/dbraw/zinc/96/17/78/494961778.db2.gz HAGCEOLYAVWGNL-HXUWFJFHSA-N 2 2 372.488 3.262 50 0 FGAALP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc2)c[nH+]1 ZINC000095385969 494971695 /nfs/dbraw/zinc/97/16/95/494971695.db2.gz WFMZHCFVSPBWCG-JTHBVZDNSA-N 2 2 373.504 3.364 50 0 FGAALP c1cn(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc2)c[nH+]1 ZINC000095385969 494971700 /nfs/dbraw/zinc/97/17/00/494971700.db2.gz WFMZHCFVSPBWCG-JTHBVZDNSA-N 2 2 373.504 3.364 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095390141 494973225 /nfs/dbraw/zinc/97/32/25/494973225.db2.gz XFMRXVSYFRBMOA-QGZVFWFLSA-N 2 2 366.465 3.106 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095390141 494973227 /nfs/dbraw/zinc/97/32/27/494973227.db2.gz XFMRXVSYFRBMOA-QGZVFWFLSA-N 2 2 366.465 3.106 50 0 FGAALP Cc1ccc(C[N@@H+](C)Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000215998977 496985618 /nfs/dbraw/zinc/98/56/18/496985618.db2.gz PBLJYYXUJJHMNI-UHFFFAOYSA-N 2 2 360.523 3.400 50 0 FGAALP Cc1ccc(C[N@H+](C)Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000215998977 496985625 /nfs/dbraw/zinc/98/56/25/496985625.db2.gz PBLJYYXUJJHMNI-UHFFFAOYSA-N 2 2 360.523 3.400 50 0 FGAALP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCc1ccccc1F ZINC000216349833 496988362 /nfs/dbraw/zinc/98/83/62/496988362.db2.gz RAVHWLPBLITFRW-KDURUIRLSA-N 2 2 370.468 3.407 50 0 FGAALP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCc1ccccc1F ZINC000216349833 496988368 /nfs/dbraw/zinc/98/83/68/496988368.db2.gz RAVHWLPBLITFRW-KDURUIRLSA-N 2 2 370.468 3.407 50 0 FGAALP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OCc1ccccc1F ZINC000216349833 496988374 /nfs/dbraw/zinc/98/83/74/496988374.db2.gz RAVHWLPBLITFRW-KDURUIRLSA-N 2 2 370.468 3.407 50 0 FGAALP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OCc1ccccc1F ZINC000216349833 496988381 /nfs/dbraw/zinc/98/83/81/496988381.db2.gz RAVHWLPBLITFRW-KDURUIRLSA-N 2 2 370.468 3.407 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000252528008 497310518 /nfs/dbraw/zinc/31/05/18/497310518.db2.gz DXUONXKETRMSDL-XBXGTLAGSA-N 2 2 370.888 3.436 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244874373 497373046 /nfs/dbraw/zinc/37/30/46/497373046.db2.gz XAEIAKXLMQTYBM-FQEVSTJZSA-N 2 2 354.498 3.210 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244874373 497373051 /nfs/dbraw/zinc/37/30/51/497373051.db2.gz XAEIAKXLMQTYBM-FQEVSTJZSA-N 2 2 354.498 3.210 50 0 FGAALP C[NH+](C)Cc1nnc(C2CC[NH+](CCc3ccccc3)CC2)n1C1CC1 ZINC000082120224 521939473 /nfs/dbraw/zinc/93/94/73/521939473.db2.gz YYEUPYQESDSUIY-UHFFFAOYSA-N 2 2 353.514 3.097 50 0 FGAALP Cc1[nH]c(C[NH+]2CCC(Cn3cc(-c4ccc(C)cc4)nn3)CC2)c[nH+]1 ZINC000020996723 526852415 /nfs/dbraw/zinc/85/24/15/526852415.db2.gz HAYCWGLQQDMNBN-UHFFFAOYSA-N 2 2 350.470 3.197 50 0 FGAALP CCCc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(C)[nH+]1 ZINC000095390046 535398125 /nfs/dbraw/zinc/39/81/25/535398125.db2.gz SEVMALBPJGEAFB-GOSISDBHSA-N 3 2 370.545 3.270 50 0 FGAALP CCCc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(C)n1 ZINC000095390046 535398131 /nfs/dbraw/zinc/39/81/31/535398131.db2.gz SEVMALBPJGEAFB-GOSISDBHSA-N 2 2 370.545 3.270 50 0 FGAALP COc1cccc(C[C@H]2C[N@H+](Cc3cc(C[NH+](C)C)cs3)CCO2)c1 ZINC000020864266 695642727 /nfs/dbraw/zinc/64/27/27/695642727.db2.gz NKZVGVPJMZIPIE-IBGZPJMESA-N 2 2 360.523 3.262 50 0 FGAALP COc1cccc(C[C@H]2C[N@@H+](Cc3cc(C[NH+](C)C)cs3)CCO2)c1 ZINC000020864266 695642728 /nfs/dbraw/zinc/64/27/28/695642728.db2.gz NKZVGVPJMZIPIE-IBGZPJMESA-N 2 2 360.523 3.262 50 0 FGAALP COc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812837 210101938 /nfs/dbraw/zinc/10/19/38/210101938.db2.gz PXMVRKTUDVJOAO-OAQYLSRUSA-N 2 2 370.472 3.112 50 0 FGAALP COc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812837 210101944 /nfs/dbraw/zinc/10/19/44/210101944.db2.gz PXMVRKTUDVJOAO-OAQYLSRUSA-N 2 2 370.472 3.112 50 0 FGAALP COc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812837 210101945 /nfs/dbraw/zinc/10/19/45/210101945.db2.gz PXMVRKTUDVJOAO-OAQYLSRUSA-N 2 2 370.472 3.112 50 0 FGAALP Cc1[nH+]cccc1-n1cccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064658869 212042170 /nfs/dbraw/zinc/04/21/70/212042170.db2.gz RGHUFUIAGYCMNA-UHFFFAOYSA-N 2 2 352.482 3.271 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccccc2)C1=N ZINC000001195384 210333850 /nfs/dbraw/zinc/33/38/50/210333850.db2.gz GATDDGUGQGGIHL-UHFFFAOYSA-N 2 2 350.466 3.147 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccccc2)C1=N ZINC000001195384 210333855 /nfs/dbraw/zinc/33/38/55/210333855.db2.gz GATDDGUGQGGIHL-UHFFFAOYSA-N 2 2 350.466 3.147 50 0 FGAALP CCCc1nc(N2CCC([NH2+][C@@H](C)c3nncn3C(C)C)CC2)cc(C)[nH+]1 ZINC000095516718 132213679 /nfs/dbraw/zinc/21/36/79/132213679.db2.gz PLFRXRNDVXZIRS-INIZCTEOSA-N 2 2 371.533 3.230 50 0 FGAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101374041 222271773 /nfs/dbraw/zinc/27/17/73/222271773.db2.gz UCJXUHSKMQQRFI-SFHVURJKSA-N 2 2 368.477 3.321 50 0 FGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077320652 494056002 /nfs/dbraw/zinc/05/60/02/494056002.db2.gz WIEWBCMEOLPUAZ-NRFANRHFSA-N 2 2 358.530 3.093 50 0 FGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077320652 494056011 /nfs/dbraw/zinc/05/60/11/494056011.db2.gz WIEWBCMEOLPUAZ-NRFANRHFSA-N 2 2 358.530 3.093 50 0 FGAALP O=C1CCCN1CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000077321611 494058021 /nfs/dbraw/zinc/05/80/21/494058021.db2.gz VNHSVSSBNJFHBA-UHFFFAOYSA-N 2 2 352.482 3.097 50 0 FGAALP CC(=O)Nc1ccc(-c2[nH+]ccn2C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000077338621 494060786 /nfs/dbraw/zinc/06/07/86/494060786.db2.gz DIUXIMNLKVSOHV-HXUWFJFHSA-N 2 2 368.481 3.324 50 0 FGAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)o1 ZINC000077407491 494077362 /nfs/dbraw/zinc/07/73/62/494077362.db2.gz VWWXXKDUVJOQQX-UHFFFAOYSA-N 2 2 357.502 3.082 50 0 FGAALP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(Cl)c1 ZINC000072309144 494150791 /nfs/dbraw/zinc/15/07/91/494150791.db2.gz CEVKKLKQBIJSRG-IAGOWNOFSA-N 2 2 365.949 3.339 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)s1 ZINC000072479915 494182859 /nfs/dbraw/zinc/18/28/59/494182859.db2.gz FJGCYEWHCFJOMY-MRXNPFEDSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)s1 ZINC000072479915 494182861 /nfs/dbraw/zinc/18/28/61/494182861.db2.gz FJGCYEWHCFJOMY-MRXNPFEDSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1cc(C[NH+]2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)n[nH]1 ZINC000011664082 494184953 /nfs/dbraw/zinc/18/49/53/494184953.db2.gz SIBLJMHFCNXVDK-OAQYLSRUSA-N 2 2 352.526 3.495 50 0 FGAALP Cc1cc(C[NH+]2CCC([C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n[nH]1 ZINC000011664082 494184958 /nfs/dbraw/zinc/18/49/58/494184958.db2.gz SIBLJMHFCNXVDK-OAQYLSRUSA-N 2 2 352.526 3.495 50 0 FGAALP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000044442539 494358768 /nfs/dbraw/zinc/35/87/68/494358768.db2.gz KYCBUXUMSSITIJ-UHFFFAOYSA-N 2 2 352.482 3.022 50 0 FGAALP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)c3)CC2)c(OC)c1OC ZINC000020149257 494468782 /nfs/dbraw/zinc/46/87/82/494468782.db2.gz LXRSTTWGSMMEGF-UHFFFAOYSA-N 2 2 371.481 3.046 50 0 FGAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](C/C=C/c1ccc(OC)cc1)CC2 ZINC000091768888 494673334 /nfs/dbraw/zinc/67/33/34/494673334.db2.gz NIGTWAHXGXVDQB-SNAWJCMRSA-N 2 2 366.509 3.301 50 0 FGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000091830424 494693693 /nfs/dbraw/zinc/69/36/93/494693693.db2.gz OQRHYVZSMJWIMO-LJQANCHMSA-N 2 2 365.481 3.095 50 0 FGAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000091830424 494693700 /nfs/dbraw/zinc/69/37/00/494693700.db2.gz OQRHYVZSMJWIMO-LJQANCHMSA-N 2 2 365.481 3.095 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091932076 494725228 /nfs/dbraw/zinc/72/52/28/494725228.db2.gz GOWOBHZRPLLKLN-UHFFFAOYSA-N 2 2 368.460 3.062 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000095383568 494970722 /nfs/dbraw/zinc/97/07/22/494970722.db2.gz XPDJLPNSRREYSF-MRXNPFEDSA-N 2 2 370.888 3.093 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000095383568 494970725 /nfs/dbraw/zinc/97/07/25/494970725.db2.gz XPDJLPNSRREYSF-MRXNPFEDSA-N 2 2 370.888 3.093 50 0 FGAALP Cc1cc2[nH]c(CCNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)[nH+]c2cc1C ZINC000219556283 497009596 /nfs/dbraw/zinc/00/95/96/497009596.db2.gz GUBIFFZIVBPKMU-HNNXBMFYSA-N 2 2 353.470 3.420 50 0 FGAALP C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C1 ZINC000426518702 500283671 /nfs/dbraw/zinc/28/36/71/500283671.db2.gz FUOAIUHOXGWUBW-OAHLLOKOSA-N 2 2 350.466 3.030 50 0 FGAALP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C1 ZINC000426518702 500283672 /nfs/dbraw/zinc/28/36/72/500283672.db2.gz FUOAIUHOXGWUBW-OAHLLOKOSA-N 2 2 350.466 3.030 50 0 FGAALP Cc1ccccc1[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCC(C)CC1 ZINC000534634904 504196969 /nfs/dbraw/zinc/19/69/69/504196969.db2.gz YWUYFPPCOFFSMP-LJQANCHMSA-N 2 2 369.513 3.333 50 0 FGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000091365190 521662585 /nfs/dbraw/zinc/66/25/85/521662585.db2.gz GKGUOFZHVQEPLT-VQTJNVASSA-N 2 2 368.525 3.398 50 0 FGAALP CCCn1cc[nH+]c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000091365190 521662587 /nfs/dbraw/zinc/66/25/87/521662587.db2.gz GKGUOFZHVQEPLT-VQTJNVASSA-N 2 2 368.525 3.398 50 0 FGAALP COCCn1cc[nH+]c1C1CC[NH+](CCOc2cccc(C)c2C)CC1 ZINC000091410036 522134797 /nfs/dbraw/zinc/13/47/97/522134797.db2.gz IXVFLSNYHFHZIE-UHFFFAOYSA-N 2 2 357.498 3.405 50 0 FGAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccs1 ZINC000020010738 526844198 /nfs/dbraw/zinc/84/41/98/526844198.db2.gz IGJCSHWYBGBDJT-GOSISDBHSA-N 2 2 370.522 3.203 50 0 FGAALP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000048782499 570959543 /nfs/dbraw/zinc/95/95/43/570959543.db2.gz YVJHZDKCCZPCCB-UHFFFAOYSA-N 2 2 374.448 3.264 50 0 FGAALP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299780355 210025024 /nfs/dbraw/zinc/02/50/24/210025024.db2.gz AJIGOOGGCRLIQG-HBMCJLEFSA-N 2 2 374.488 3.219 50 0 FGAALP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299780355 210025025 /nfs/dbraw/zinc/02/50/25/210025025.db2.gz AJIGOOGGCRLIQG-HBMCJLEFSA-N 2 2 374.488 3.219 50 0 FGAALP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCCC[NH+]1CCOCC1 ZINC000001916100 210375508 /nfs/dbraw/zinc/37/55/08/210375508.db2.gz NUFQQJRGQQZCOS-UHFFFAOYSA-N 2 2 371.481 3.163 50 0 FGAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753680 221363276 /nfs/dbraw/zinc/36/32/76/221363276.db2.gz CKNLIQVZKLCKNI-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753680 221363280 /nfs/dbraw/zinc/36/32/80/221363280.db2.gz CKNLIQVZKLCKNI-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Nc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Sc2cccs2)[nH+]1 ZINC000077390666 132183440 /nfs/dbraw/zinc/18/34/40/132183440.db2.gz IFDKJZFZSZBGBL-LLVKDONJSA-N 2 2 358.496 3.379 50 0 FGAALP COc1ccccc1N1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)[C@@H](C)C1 ZINC000077438638 132185265 /nfs/dbraw/zinc/18/52/65/132185265.db2.gz HVJYGRJYJISBMS-KRWDZBQOSA-N 2 2 363.465 3.050 50 0 FGAALP CCCc1nc(N2CCC([NH2+]Cc3nccn3CCC)CC2)cc(C)[nH+]1 ZINC000095507206 132212914 /nfs/dbraw/zinc/21/29/14/132212914.db2.gz MPTVHQNEVFZUMY-UHFFFAOYSA-N 2 2 356.518 3.103 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082170625 493980896 /nfs/dbraw/zinc/98/08/96/493980896.db2.gz MQUFJSMRLCDMIB-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082170625 493980900 /nfs/dbraw/zinc/98/09/00/493980900.db2.gz MQUFJSMRLCDMIB-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082170625 493980903 /nfs/dbraw/zinc/98/09/03/493980903.db2.gz MQUFJSMRLCDMIB-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082170625 493980906 /nfs/dbraw/zinc/98/09/06/493980906.db2.gz MQUFJSMRLCDMIB-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072143608 494133158 /nfs/dbraw/zinc/13/31/58/494133158.db2.gz AXXLUGGHQNRVDX-IBGZPJMESA-N 2 2 368.525 3.411 50 0 FGAALP C[C@H]1CCCC[N@H+]1C1CN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072143608 494133163 /nfs/dbraw/zinc/13/31/63/494133163.db2.gz AXXLUGGHQNRVDX-IBGZPJMESA-N 2 2 368.525 3.411 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154257 494137697 /nfs/dbraw/zinc/13/76/97/494137697.db2.gz UHFYNYFVSZMMQX-SFHVURJKSA-N 2 2 370.522 3.019 50 0 FGAALP O=C(CC[N@H+]1CCC[C@H]1c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154257 494137699 /nfs/dbraw/zinc/13/76/99/494137699.db2.gz UHFYNYFVSZMMQX-SFHVURJKSA-N 2 2 370.522 3.019 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072420160 494169610 /nfs/dbraw/zinc/16/96/10/494169610.db2.gz JDURTXMNVGDTJF-HXUWFJFHSA-N 2 2 367.541 3.223 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072420160 494169614 /nfs/dbraw/zinc/16/96/14/494169614.db2.gz JDURTXMNVGDTJF-HXUWFJFHSA-N 2 2 367.541 3.223 50 0 FGAALP COc1ccc(-c2[nH+]ccn2CC[C@H](C)[NH+]2CCN(C)CC2)c(C)c1C ZINC000072432268 494174235 /nfs/dbraw/zinc/17/42/35/494174235.db2.gz KTJIBIASTXSWDD-INIZCTEOSA-N 2 2 356.514 3.202 50 0 FGAALP O=C1CC[C@@]2(CCC[N@H+](CCCn3cc[nH+]c3)C2)CN1Cc1ccccc1 ZINC000072475527 494180452 /nfs/dbraw/zinc/18/04/52/494180452.db2.gz LFFUGEYGSJHFEE-JOCHJYFZSA-N 2 2 366.509 3.178 50 0 FGAALP O=C1CC[C@@]2(CCC[N@@H+](CCCn3cc[nH+]c3)C2)CN1Cc1ccccc1 ZINC000072475527 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Cc1[nH]c(-c2cccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c2)c(C)[nH+]1 ZINC000584892314 507558570 /nfs/dbraw/zinc/55/85/70/507558570.db2.gz BUJNOCDWBZTFAT-UHFFFAOYSA-N 2 2 361.449 3.051 50 0 FGAALP CCc1cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc(C)[nH+]1 ZINC000091644961 523793295 /nfs/dbraw/zinc/79/32/95/523793295.db2.gz ZNHIDAOQDDNYLU-UHFFFAOYSA-N 2 2 362.481 3.371 50 0 FGAALP OCc1ccc2c(c1)C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)CCO2 ZINC000216510259 527634414 /nfs/dbraw/zinc/63/44/14/527634414.db2.gz MLLODAVHRLUOLL-UHFFFAOYSA-N 2 2 358.507 3.231 50 0 FGAALP OCc1ccc2c(c1)C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)CCO2 ZINC000216510259 527634422 /nfs/dbraw/zinc/63/44/22/527634422.db2.gz MLLODAVHRLUOLL-UHFFFAOYSA-N 2 2 358.507 3.231 50 0 FGAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000103268875 570847315 /nfs/dbraw/zinc/84/73/15/570847315.db2.gz QZCJAWKUNQGHJW-QAPCUYQASA-N 2 2 367.921 3.004 50 0 FGAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000103268875 570847318 /nfs/dbraw/zinc/84/73/18/570847318.db2.gz QZCJAWKUNQGHJW-QAPCUYQASA-N 2 2 367.921 3.004 50 0 FGAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000023338433 211384707 /nfs/dbraw/zinc/38/47/07/211384707.db2.gz AXOXWTROZCJNMV-BFSLETRISA-N 2 2 367.537 3.155 50 0 FGAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000023338433 211384714 /nfs/dbraw/zinc/38/47/14/211384714.db2.gz AXOXWTROZCJNMV-BFSLETRISA-N 2 2 367.537 3.155 50 0 FGAALP Cc1cc(N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc(C)[nH+]1 ZINC000072473674 136149008 /nfs/dbraw/zinc/14/90/08/136149008.db2.gz OKMIAEUSNDTHAI-GOSISDBHSA-N 2 2 368.529 3.197 50 0 FGAALP C[C@H](c1cccc(OCC[NH+](C)C)c1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000097165386 222165478 /nfs/dbraw/zinc/16/54/78/222165478.db2.gz FUZJEVKFUIYZQN-GOSISDBHSA-N 2 2 373.541 3.022 50 0 FGAALP O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000097698836 222206762 /nfs/dbraw/zinc/20/67/62/222206762.db2.gz HWHDUSIPUVPQHD-QFIPXVFZSA-N 2 2 363.505 3.186 50 0 FGAALP O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000097698836 222206765 /nfs/dbraw/zinc/20/67/65/222206765.db2.gz HWHDUSIPUVPQHD-QFIPXVFZSA-N 2 2 363.505 3.186 50 0 FGAALP CCCOc1cccc(C[NH2+]C[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)c1 ZINC000058213552 493833900 /nfs/dbraw/zinc/83/39/00/493833900.db2.gz FRYCJMNGHVWVBR-IRLDBZIGSA-N 2 2 356.510 3.476 50 0 FGAALP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCn4cc[nH+]c4)[C@H]3C=C12 ZINC000003984182 493861107 /nfs/dbraw/zinc/86/11/07/493861107.db2.gz XBYCLWZNSPFVFP-YAOJWGSESA-N 2 2 357.498 3.177 50 0 FGAALP c1cnn(-c2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2)c1 ZINC000030664506 493903324 /nfs/dbraw/zinc/90/33/24/493903324.db2.gz YHFPSSDFOBSFFY-UHFFFAOYSA-N 2 2 357.461 3.449 50 0 FGAALP OCCOc1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000077320890 494056324 /nfs/dbraw/zinc/05/63/24/494056324.db2.gz DRSDPTOVCLUDSZ-SFHVURJKSA-N 2 2 365.477 3.389 50 0 FGAALP OCCOc1cccc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000077320890 494056325 /nfs/dbraw/zinc/05/63/25/494056325.db2.gz DRSDPTOVCLUDSZ-SFHVURJKSA-N 2 2 365.477 3.389 50 0 FGAALP CC1=C(CC[NH+]2CCCn3nc(C[N@H+](C)CCO)cc3C2)C(C)(C)CCC1 ZINC000072169525 494143357 /nfs/dbraw/zinc/14/33/57/494143357.db2.gz JQJFEEIOQYGGKD-UHFFFAOYSA-N 2 2 374.573 3.430 50 0 FGAALP CC1=C(CC[NH+]2CCCn3nc(C[N@@H+](C)CCO)cc3C2)C(C)(C)CCC1 ZINC000072169525 494143358 /nfs/dbraw/zinc/14/33/58/494143358.db2.gz JQJFEEIOQYGGKD-UHFFFAOYSA-N 2 2 374.573 3.430 50 0 FGAALP CC1=C(CC[N@H+]2CCCn3nc(C[NH+](C)CCO)cc3C2)C(C)(C)CCC1 ZINC000072169525 494143362 /nfs/dbraw/zinc/14/33/62/494143362.db2.gz JQJFEEIOQYGGKD-UHFFFAOYSA-N 2 2 374.573 3.430 50 0 FGAALP CC1=C(CC[N@@H+]2CCCn3nc(C[NH+](C)CCO)cc3C2)C(C)(C)CCC1 ZINC000072169525 494143365 /nfs/dbraw/zinc/14/33/65/494143365.db2.gz JQJFEEIOQYGGKD-UHFFFAOYSA-N 2 2 374.573 3.430 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072408548 494166026 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0 FGAALP Cc1cc(-n2nc(C(C)C)nc2[C@@H](Cc2c[nH]c[nH+]2)n2cccc2)cc[nH+]1 ZINC000067539922 494562104 /nfs/dbraw/zinc/56/21/04/494562104.db2.gz IZTHOOWOSXYCKA-GOSISDBHSA-N 2 2 361.453 3.451 50 0 FGAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091326912 494582876 /nfs/dbraw/zinc/58/28/76/494582876.db2.gz VCCXVEAYTUOVKM-HZPDHXFCSA-N 2 2 361.917 3.266 50 0 FGAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091326912 494582883 /nfs/dbraw/zinc/58/28/83/494582883.db2.gz VCCXVEAYTUOVKM-HZPDHXFCSA-N 2 2 361.917 3.266 50 0 FGAALP COc1ccnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095372478 494967374 /nfs/dbraw/zinc/96/73/74/494967374.db2.gz JMXAYFYHCWZUFZ-HNNXBMFYSA-N 2 2 369.494 3.171 50 0 FGAALP COc1ccnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095372478 494967377 /nfs/dbraw/zinc/96/73/77/494967377.db2.gz JMXAYFYHCWZUFZ-HNNXBMFYSA-N 2 2 369.494 3.171 50 0 FGAALP Cc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccncn2)cc1CN1CC[NH+](C)CC1 ZINC000215494891 496980602 /nfs/dbraw/zinc/98/06/02/496980602.db2.gz VFHNIWMQQBULFM-IBGZPJMESA-N 2 2 367.541 3.034 50 0 FGAALP Cc1cc(C)c(C[N@H+](C)[C@@H](C)c2ccncn2)cc1CN1CC[NH+](C)CC1 ZINC000215494891 496980609 /nfs/dbraw/zinc/98/06/09/496980609.db2.gz VFHNIWMQQBULFM-IBGZPJMESA-N 2 2 367.541 3.034 50 0 FGAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+](C)[C@@H](C)c1ccncn1 ZINC000215494891 496980619 /nfs/dbraw/zinc/98/06/19/496980619.db2.gz VFHNIWMQQBULFM-IBGZPJMESA-N 2 2 367.541 3.034 50 0 FGAALP O=C(NCC12CCC[NH+]1CCC2)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000244858420 497371145 /nfs/dbraw/zinc/37/11/45/497371145.db2.gz VKWAFLUQJWOHJR-IBGZPJMESA-N 2 2 359.489 3.097 50 0 FGAALP CCc1oc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C[NH+](CC)CC ZINC000426615544 500294799 /nfs/dbraw/zinc/29/47/99/500294799.db2.gz ORUGQMVJQIMDRK-HNNXBMFYSA-N 2 2 358.486 3.427 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)s1 ZINC000082087928 524451681 /nfs/dbraw/zinc/45/16/81/524451681.db2.gz AIZJGFDGCWWUIC-FQEVSTJZSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)s1 ZINC000082087928 524451691 /nfs/dbraw/zinc/45/16/91/524451691.db2.gz AIZJGFDGCWWUIC-FQEVSTJZSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)s1 ZINC000082087928 524451699 /nfs/dbraw/zinc/45/16/99/524451699.db2.gz AIZJGFDGCWWUIC-FQEVSTJZSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)s1 ZINC000082087928 524451706 /nfs/dbraw/zinc/45/17/06/524451706.db2.gz AIZJGFDGCWWUIC-FQEVSTJZSA-N 2 2 372.538 3.227 50 0 FGAALP COc1cccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)c1 ZINC000082137466 525935501 /nfs/dbraw/zinc/93/55/01/525935501.db2.gz VLIMFQOONDZWGL-UHFFFAOYSA-N 2 2 369.513 3.063 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000096138560 536020070 /nfs/dbraw/zinc/02/00/70/536020070.db2.gz HDVQBQFXSQLADN-OAQYLSRUSA-N 2 2 350.510 3.463 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000091779385 132203688 /nfs/dbraw/zinc/20/36/88/132203688.db2.gz OYKLYKOADLQNOK-UHFFFAOYSA-N 2 2 368.529 3.080 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000091779385 132203689 /nfs/dbraw/zinc/20/36/89/132203689.db2.gz OYKLYKOADLQNOK-UHFFFAOYSA-N 2 2 368.529 3.080 50 0 FGAALP FC(F)(F)c1cnc(N2CCC([NH2+]CCc3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000095368446 132208298 /nfs/dbraw/zinc/20/82/98/132208298.db2.gz JWKXLYTUHXZIRO-UHFFFAOYSA-N 2 2 373.810 3.278 50 0 FGAALP FC(F)(F)c1cnc(N2CCC([NH2+]CCc3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000095368446 132208299 /nfs/dbraw/zinc/20/82/99/132208299.db2.gz JWKXLYTUHXZIRO-UHFFFAOYSA-N 2 2 373.810 3.278 50 0 FGAALP CSc1nccc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC000095383435 132209750 /nfs/dbraw/zinc/20/97/50/132209750.db2.gz DJRDCSHYQYGQJR-MRXNPFEDSA-N 2 2 374.558 3.068 50 0 FGAALP Cc1nn(C)c(C)c1C[N@@H+](C)C1CCN(c2cc(C(C)C)[nH+]c(C)n2)CC1 ZINC000095519824 132214064 /nfs/dbraw/zinc/21/40/64/132214064.db2.gz UJMRWJBYMQHIRC-UHFFFAOYSA-N 2 2 370.545 3.360 50 0 FGAALP Cc1nn(C)c(C)c1C[N@H+](C)C1CCN(c2cc(C(C)C)[nH+]c(C)n2)CC1 ZINC000095519824 132214065 /nfs/dbraw/zinc/21/40/65/132214065.db2.gz UJMRWJBYMQHIRC-UHFFFAOYSA-N 2 2 370.545 3.360 50 0 FGAALP CCC(CC)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCOCC1 ZINC000097287639 222173140 /nfs/dbraw/zinc/17/31/40/222173140.db2.gz ZSNFOVWOHJJZHQ-OAQYLSRUSA-N 2 2 356.514 3.099 50 0 FGAALP CC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C[NH+]2CCN(CC)CC2)c1C ZINC000077488699 494093895 /nfs/dbraw/zinc/09/38/95/494093895.db2.gz ABBSXIOXQAYXGL-QFIPXVFZSA-N 2 2 359.558 3.052 50 0 FGAALP CC[C@H]1COCC[N@H+]1Cc1cc(C)cc(C[NH+]2CCN(CC)CC2)c1C ZINC000077488699 494093899 /nfs/dbraw/zinc/09/38/99/494093899.db2.gz ABBSXIOXQAYXGL-QFIPXVFZSA-N 2 2 359.558 3.052 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cc1 ZINC000072433412 494174103 /nfs/dbraw/zinc/17/41/03/494174103.db2.gz INMMUZNSPFQYGM-FQEVSTJZSA-N 2 2 367.541 3.353 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cc1 ZINC000072433412 494174107 /nfs/dbraw/zinc/17/41/07/494174107.db2.gz INMMUZNSPFQYGM-FQEVSTJZSA-N 2 2 367.541 3.353 50 0 FGAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccsc3)CC2)CC1)N1CCCC1 ZINC000012584799 494243747 /nfs/dbraw/zinc/24/37/47/494243747.db2.gz HRWIVHSLTQOKTD-UHFFFAOYSA-N 2 2 361.555 3.047 50 0 FGAALP Cc1[nH+]ccn1CCSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000089735732 494350621 /nfs/dbraw/zinc/35/06/21/494350621.db2.gz YBKMXTDSQHSMTQ-UHFFFAOYSA-N 2 2 354.414 3.252 50 0 FGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095364106 494964244 /nfs/dbraw/zinc/96/42/44/494964244.db2.gz FHYGHGIJQBTPJC-FQEVSTJZSA-N 2 2 368.525 3.294 50 0 FGAALP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983604 /nfs/dbraw/zinc/98/36/04/494983604.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983606 /nfs/dbraw/zinc/98/36/06/494983606.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[NH+](C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983607 /nfs/dbraw/zinc/98/36/07/494983607.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983609 /nfs/dbraw/zinc/98/36/09/494983609.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1ccccc1CC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095523429 494986071 /nfs/dbraw/zinc/98/60/71/494986071.db2.gz MZTZNFMZRZGLEO-HXUWFJFHSA-N 2 2 368.525 3.092 50 0 FGAALP CC(C)[N@@H+]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C[C@H]1C ZINC000216221361 496987220 /nfs/dbraw/zinc/98/72/20/496987220.db2.gz KNMGTIFMSXDMCQ-LJQANCHMSA-N 2 2 356.514 3.267 50 0 FGAALP CC(C)[N@H+]1CCN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C[C@H]1C ZINC000216221361 496987227 /nfs/dbraw/zinc/98/72/27/496987227.db2.gz KNMGTIFMSXDMCQ-LJQANCHMSA-N 2 2 356.514 3.267 50 0 FGAALP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000216308671 496988232 /nfs/dbraw/zinc/98/82/32/496988232.db2.gz QTHHBIGRRZWFOI-QFIPXVFZSA-N 2 2 363.461 3.056 50 0 FGAALP O[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000216308671 496988239 /nfs/dbraw/zinc/98/82/39/496988239.db2.gz QTHHBIGRRZWFOI-QFIPXVFZSA-N 2 2 363.461 3.056 50 0 FGAALP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(C2CC2)[nH+]1 ZINC000192226824 497040809 /nfs/dbraw/zinc/04/08/09/497040809.db2.gz DBDWUHONUIVIJW-IBGZPJMESA-N 2 2 352.482 3.365 50 0 FGAALP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc(C2CC2)[nH+]1 ZINC000192226824 497040814 /nfs/dbraw/zinc/04/08/14/497040814.db2.gz DBDWUHONUIVIJW-IBGZPJMESA-N 2 2 352.482 3.365 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000020202362 527393299 /nfs/dbraw/zinc/39/32/99/527393299.db2.gz UMDSYNFFJJJEHU-MRXNPFEDSA-N 2 2 357.502 3.401 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000095497718 535937007 /nfs/dbraw/zinc/93/70/07/535937007.db2.gz DYMSRBSTIDHOEL-CQSZACIVSA-N 2 2 367.419 3.243 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000096166290 536019672 /nfs/dbraw/zinc/01/96/72/536019672.db2.gz YIWOXHNVBAHNBN-UHFFFAOYSA-N 3 2 367.541 3.168 50 0 FGAALP C[NH2+]CCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491724 529971057 /nfs/dbraw/zinc/97/10/57/529971057.db2.gz FVNFQQVUILCBTQ-UHFFFAOYSA-N 2 2 369.900 3.346 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)NCc2c[nH+]cn2CC(C)C)cc1 ZINC000299772325 210018775 /nfs/dbraw/zinc/01/87/75/210018775.db2.gz YLVNMILNNZUPKO-UHFFFAOYSA-N 2 2 352.442 3.355 50 0 FGAALP CC(=O)Nc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccncc2)cc1 ZINC000055227897 221063021 /nfs/dbraw/zinc/06/30/21/221063021.db2.gz UHRKJBPLDJFTGU-UHFFFAOYSA-N 2 2 363.465 3.329 50 0 FGAALP CC(=O)Nc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccncc2)cc1 ZINC000055227897 221063023 /nfs/dbraw/zinc/06/30/23/221063023.db2.gz UHRKJBPLDJFTGU-UHFFFAOYSA-N 2 2 363.465 3.329 50 0 FGAALP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000058166278 221101405 /nfs/dbraw/zinc/10/14/05/221101405.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 2 2 372.509 3.019 50 0 FGAALP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000058166278 221101409 /nfs/dbraw/zinc/10/14/09/221101409.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 2 2 372.509 3.019 50 0 FGAALP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000058166278 221101411 /nfs/dbraw/zinc/10/14/11/221101411.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 2 2 372.509 3.019 50 0 FGAALP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000058166278 221101414 /nfs/dbraw/zinc/10/14/14/221101414.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 2 2 372.509 3.019 50 0 FGAALP Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266917 /nfs/dbraw/zinc/26/69/17/221266917.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266919 /nfs/dbraw/zinc/26/69/19/221266919.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266920 /nfs/dbraw/zinc/26/69/20/221266920.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266921 /nfs/dbraw/zinc/26/69/21/221266921.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 2 2 354.473 3.412 50 0 FGAALP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258491 /nfs/dbraw/zinc/25/84/91/221258491.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258493 /nfs/dbraw/zinc/25/84/93/221258493.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258494 /nfs/dbraw/zinc/25/84/94/221258494.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258496 /nfs/dbraw/zinc/25/84/96/221258496.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 2 2 374.479 3.495 50 0 FGAALP Cc1ccc(F)c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071735759 221356793 /nfs/dbraw/zinc/35/67/93/221356793.db2.gz UAXSWCRXEQTLIW-QGZVFWFLSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(F)c(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071735759 221356796 /nfs/dbraw/zinc/35/67/96/221356796.db2.gz UAXSWCRXEQTLIW-QGZVFWFLSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2c(Cl)nc3sccn23)CC1 ZINC000071765482 221372488 /nfs/dbraw/zinc/37/24/88/221372488.db2.gz VXACFRMGXOWBKE-UHFFFAOYSA-N 2 2 361.902 3.465 50 0 FGAALP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2c(Cl)nc3sccn23)CC1 ZINC000071765482 221372491 /nfs/dbraw/zinc/37/24/91/221372491.db2.gz VXACFRMGXOWBKE-UHFFFAOYSA-N 2 2 361.902 3.465 50 0 FGAALP Cc1cc(N2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c2ccccc2[nH+]1 ZINC000077505077 132187664 /nfs/dbraw/zinc/18/76/64/132187664.db2.gz CZEWSJGHQLAACZ-UHFFFAOYSA-N 2 2 364.497 3.117 50 0 FGAALP Oc1cccc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244724576 132290841 /nfs/dbraw/zinc/29/08/41/132290841.db2.gz MWQVAYXYXBQISA-FQEVSTJZSA-N 2 2 351.494 3.036 50 0 FGAALP Oc1cccc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000244724576 132290843 /nfs/dbraw/zinc/29/08/43/132290843.db2.gz MWQVAYXYXBQISA-FQEVSTJZSA-N 2 2 351.494 3.036 50 0 FGAALP Cc1cc(N2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000004336346 132386791 /nfs/dbraw/zinc/38/67/91/132386791.db2.gz RZJLJUBWLQXICL-UHFFFAOYSA-N 2 2 374.488 3.328 50 0 FGAALP OCCOc1ccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072454612 136148481 /nfs/dbraw/zinc/14/84/81/136148481.db2.gz MEZQHKDRBCLYSR-UHFFFAOYSA-N 2 2 367.493 3.088 50 0 FGAALP OCCOc1ccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1 ZINC000072454612 136148482 /nfs/dbraw/zinc/14/84/82/136148482.db2.gz MEZQHKDRBCLYSR-UHFFFAOYSA-N 2 2 367.493 3.088 50 0 FGAALP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000034798142 494068738 /nfs/dbraw/zinc/06/87/38/494068738.db2.gz PBVBLWGOTUUFQO-HXUWFJFHSA-N 2 2 366.440 3.093 50 0 FGAALP COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152251 494135398 /nfs/dbraw/zinc/13/53/98/494135398.db2.gz NOQJZUQOWNSALK-GOSISDBHSA-N 2 2 357.454 3.250 50 0 FGAALP COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152251 494135403 /nfs/dbraw/zinc/13/54/03/494135403.db2.gz NOQJZUQOWNSALK-GOSISDBHSA-N 2 2 357.454 3.250 50 0 FGAALP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592612 494245829 /nfs/dbraw/zinc/24/58/29/494245829.db2.gz VVPPKPLAXZDAMA-SFHVURJKSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592612 494245832 /nfs/dbraw/zinc/24/58/32/494245832.db2.gz VVPPKPLAXZDAMA-SFHVURJKSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592612 494245835 /nfs/dbraw/zinc/24/58/35/494245835.db2.gz VVPPKPLAXZDAMA-SFHVURJKSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592612 494245839 /nfs/dbraw/zinc/24/58/39/494245839.db2.gz VVPPKPLAXZDAMA-SFHVURJKSA-N 2 2 360.933 3.460 50 0 FGAALP Cc1nn(C)c(Cl)c1C[N@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055153071 494307484 /nfs/dbraw/zinc/30/74/84/494307484.db2.gz ICRXFLPVETUXLI-UHFFFAOYSA-N 2 2 358.877 3.066 50 0 FGAALP Cc1nn(C)c(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055153071 494307487 /nfs/dbraw/zinc/30/74/87/494307487.db2.gz ICRXFLPVETUXLI-UHFFFAOYSA-N 2 2 358.877 3.066 50 0 FGAALP CSc1ncc(C[NH2+]CCCn2cc[nH+]c2)c(N(C)C2CCCCC2)n1 ZINC000022340007 494520592 /nfs/dbraw/zinc/52/05/92/494520592.db2.gz ATEPZSGWNGAKRU-UHFFFAOYSA-N 2 2 374.558 3.344 50 0 FGAALP CCCC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067541813 494561982 /nfs/dbraw/zinc/56/19/82/494561982.db2.gz ILLUJCODZZGQBH-GOSISDBHSA-N 2 2 353.514 3.472 50 0 FGAALP COc1c(F)c(F)c(C[NH+]2CCC(c3[nH+]ccn3C)CC2)c(F)c1F ZINC000091586123 494621023 /nfs/dbraw/zinc/62/10/23/494621023.db2.gz OBKLWXMOYWPTLS-UHFFFAOYSA-N 2 2 357.351 3.365 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816234 495746727 /nfs/dbraw/zinc/74/67/27/495746727.db2.gz QVLMXTUOYGMXDJ-VQTJNVASSA-N 2 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816234 495746734 /nfs/dbraw/zinc/74/67/34/495746734.db2.gz QVLMXTUOYGMXDJ-VQTJNVASSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816234 495746738 /nfs/dbraw/zinc/74/67/38/495746738.db2.gz QVLMXTUOYGMXDJ-VQTJNVASSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816234 495746744 /nfs/dbraw/zinc/74/67/44/495746744.db2.gz QVLMXTUOYGMXDJ-VQTJNVASSA-N 3 2 373.545 3.191 50 0 FGAALP Fc1ccc2nc(C[N@@H+]3CCCO[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208297 496987051 /nfs/dbraw/zinc/98/70/51/496987051.db2.gz RVQJYNIPJJSJDU-FQEVSTJZSA-N 2 2 357.473 3.451 50 0 FGAALP Fc1ccc2nc(C[N@H+]3CCCO[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000216208297 496987056 /nfs/dbraw/zinc/98/70/56/496987056.db2.gz RVQJYNIPJJSJDU-FQEVSTJZSA-N 2 2 357.473 3.451 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355820 497097014 /nfs/dbraw/zinc/09/70/14/497097014.db2.gz VBECOOALJFAVJY-ZCNNSNEGSA-N 2 2 357.542 3.369 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355820 497097019 /nfs/dbraw/zinc/09/70/19/497097019.db2.gz VBECOOALJFAVJY-ZCNNSNEGSA-N 2 2 357.542 3.369 50 0 FGAALP O[C@H](C[N@@H+]1CCC[C@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000252476908 497301237 /nfs/dbraw/zinc/30/12/37/497301237.db2.gz DPKIVYBMKBAMHM-PMACEKPBSA-N 2 2 371.550 3.068 50 0 FGAALP O[C@H](C[N@H+]1CCC[C@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000252476908 497301242 /nfs/dbraw/zinc/30/12/42/497301242.db2.gz DPKIVYBMKBAMHM-PMACEKPBSA-N 2 2 371.550 3.068 50 0 FGAALP c1cc2c(nc[nH+]c2N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH]1 ZINC000091595430 526537006 /nfs/dbraw/zinc/53/70/06/526537006.db2.gz WKOBBBUWUKLWDV-UHFFFAOYSA-N 2 2 365.466 3.043 50 0 FGAALP COc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812836 210102226 /nfs/dbraw/zinc/10/22/26/210102226.db2.gz PXMVRKTUDVJOAO-NRFANRHFSA-N 2 2 370.472 3.112 50 0 FGAALP COc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812836 210102232 /nfs/dbraw/zinc/10/22/32/210102232.db2.gz PXMVRKTUDVJOAO-NRFANRHFSA-N 2 2 370.472 3.112 50 0 FGAALP COc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000011812836 210102235 /nfs/dbraw/zinc/10/22/35/210102235.db2.gz PXMVRKTUDVJOAO-NRFANRHFSA-N 2 2 370.472 3.112 50 0 FGAALP CC(C)c1[nH+]ccn1CCCNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299799694 210040378 /nfs/dbraw/zinc/04/03/78/210040378.db2.gz YDVNVMFYPXNIMS-UHFFFAOYSA-N 2 2 368.525 3.392 50 0 FGAALP C[C@H](c1ccco1)[N@H+](C)Cc1ccccc1OCCCN1CC[NH+](C)CC1 ZINC000063883601 212036160 /nfs/dbraw/zinc/03/61/60/212036160.db2.gz AUIQNZGNJLYSIJ-LJQANCHMSA-N 2 2 371.525 3.489 50 0 FGAALP C[C@H](c1ccco1)[N@@H+](C)Cc1ccccc1OCCCN1CC[NH+](C)CC1 ZINC000063883601 212036162 /nfs/dbraw/zinc/03/61/62/212036162.db2.gz AUIQNZGNJLYSIJ-LJQANCHMSA-N 2 2 371.525 3.489 50 0 FGAALP C[C@H](c1ccco1)[N@H+](C)Cc1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000063883601 212036164 /nfs/dbraw/zinc/03/61/64/212036164.db2.gz AUIQNZGNJLYSIJ-LJQANCHMSA-N 2 2 371.525 3.489 50 0 FGAALP C[C@H](c1ccco1)[N@@H+](C)Cc1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000063883601 212036166 /nfs/dbraw/zinc/03/61/66/212036166.db2.gz AUIQNZGNJLYSIJ-LJQANCHMSA-N 2 2 371.525 3.489 50 0 FGAALP C[N@H+](CCn1cc[nH+]c1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000019229026 211208094 /nfs/dbraw/zinc/20/80/94/211208094.db2.gz SGDSPDZJOKEQLO-UHFFFAOYSA-N 2 2 365.359 3.008 50 0 FGAALP C[N@@H+](CCn1cc[nH+]c1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000019229026 211208100 /nfs/dbraw/zinc/20/81/00/211208100.db2.gz SGDSPDZJOKEQLO-UHFFFAOYSA-N 2 2 365.359 3.008 50 0 FGAALP Cc1cc(=O)oc2cc(C[NH+]3CCC([NH+]4CCSCC4)CC3)ccc12 ZINC000067756189 221282148 /nfs/dbraw/zinc/28/21/48/221282148.db2.gz MRORGGMZZOOXAR-UHFFFAOYSA-N 2 2 358.507 3.115 50 0 FGAALP Cc1cc(F)ccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071419507 221347866 /nfs/dbraw/zinc/34/78/66/221347866.db2.gz DKSZVJOJIRAUSF-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(F)ccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071419507 221347870 /nfs/dbraw/zinc/34/78/70/221347870.db2.gz DKSZVJOJIRAUSF-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Clc1cccc(C[NH+]2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000077489791 132187469 /nfs/dbraw/zinc/18/74/69/132187469.db2.gz HPLNQFUQLUGTHV-UHFFFAOYSA-N 2 2 367.884 3.302 50 0 FGAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000091440902 132201929 /nfs/dbraw/zinc/20/19/29/132201929.db2.gz JNEZDOFNVHWTMK-SFHVURJKSA-N 2 2 351.498 3.155 50 0 FGAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)nc[nH+]3)CC2)C1 ZINC000091440902 132201930 /nfs/dbraw/zinc/20/19/30/132201930.db2.gz JNEZDOFNVHWTMK-SFHVURJKSA-N 2 2 351.498 3.155 50 0 FGAALP Cc1nc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)c(C)c(C)[nH+]1 ZINC000092037927 132205605 /nfs/dbraw/zinc/20/56/05/132205605.db2.gz ANRNWQPZDVYWIL-UHFFFAOYSA-N 2 2 368.529 3.135 50 0 FGAALP Cc1nc(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)c(C)c(C)[nH+]1 ZINC000092037927 132205606 /nfs/dbraw/zinc/20/56/06/132205606.db2.gz ANRNWQPZDVYWIL-UHFFFAOYSA-N 2 2 368.529 3.135 50 0 FGAALP O=C(NC1CC[NH+](C2CCSCC2)CC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097468240 222182968 /nfs/dbraw/zinc/18/29/68/222182968.db2.gz NMTKROIRDILBBZ-UHFFFAOYSA-N 2 2 370.522 3.167 50 0 FGAALP Cc1cc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)c(C(C)C)cc1Cl ZINC000003418289 493843713 /nfs/dbraw/zinc/84/37/13/493843713.db2.gz QFXPJIVKFIFQME-MRXNPFEDSA-N 2 2 365.905 3.388 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000077554142 494113971 /nfs/dbraw/zinc/11/39/71/494113971.db2.gz HJQYSCUUXIUZLW-UHFFFAOYSA-N 2 2 371.504 3.320 50 0 FGAALP Cc1noc(C)c1C[N@@H+]1CCCn2nc(C[NH+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072163419 494140350 /nfs/dbraw/zinc/14/03/50/494140350.db2.gz DFVHYCLSTBINBJ-MJGOQNOKSA-N 2 2 369.513 3.268 50 0 FGAALP Cc1noc(C)c1C[N@H+]1CCCn2nc(C[NH+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072163419 494140351 /nfs/dbraw/zinc/14/03/51/494140351.db2.gz DFVHYCLSTBINBJ-MJGOQNOKSA-N 2 2 369.513 3.268 50 0 FGAALP Cc1noc(C)c1C[NH+]1CCCn2nc(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072163419 494140352 /nfs/dbraw/zinc/14/03/52/494140352.db2.gz DFVHYCLSTBINBJ-MJGOQNOKSA-N 2 2 369.513 3.268 50 0 FGAALP Cc1noc(C)c1C[NH+]1CCCn2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072163419 494140353 /nfs/dbraw/zinc/14/03/53/494140353.db2.gz DFVHYCLSTBINBJ-MJGOQNOKSA-N 2 2 369.513 3.268 50 0 FGAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OC(C)C ZINC000040719610 494145713 /nfs/dbraw/zinc/14/57/13/494145713.db2.gz ODKJAJKHGBHRCZ-UHFFFAOYSA-N 2 2 370.921 3.338 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091604360 494627566 /nfs/dbraw/zinc/62/75/66/494627566.db2.gz ZCAQWQHPRZLWKQ-VQTJNVASSA-N 2 2 361.493 3.134 50 0 FGAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091604360 494627574 /nfs/dbraw/zinc/62/75/74/494627574.db2.gz ZCAQWQHPRZLWKQ-VQTJNVASSA-N 2 2 361.493 3.134 50 0 FGAALP COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091781633 494679148 /nfs/dbraw/zinc/67/91/48/494679148.db2.gz MGSDNEKEZOVESS-YIYNPQHWSA-N 2 2 366.509 3.336 50 0 FGAALP COc1ccc(/C=C/C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091781633 494679158 /nfs/dbraw/zinc/67/91/58/494679158.db2.gz MGSDNEKEZOVESS-YIYNPQHWSA-N 2 2 366.509 3.336 50 0 FGAALP COc1ccnc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)c1 ZINC000091896768 494717073 /nfs/dbraw/zinc/71/70/73/494717073.db2.gz QNGWWUKHDURIDB-UHFFFAOYSA-N 2 2 369.494 3.171 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095354315 494961160 /nfs/dbraw/zinc/96/11/60/494961160.db2.gz HAGCEOLYAVWGNL-FQEVSTJZSA-N 2 2 372.488 3.262 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000095362480 494964534 /nfs/dbraw/zinc/96/45/34/494964534.db2.gz BSWAGMXVHDTWKT-FQEVSTJZSA-N 2 2 366.440 3.239 50 0 FGAALP CC(C)n1cccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095380175 494969407 /nfs/dbraw/zinc/96/94/07/494969407.db2.gz VAQDGCWVBBINAG-GOSISDBHSA-N 2 2 371.529 3.237 50 0 FGAALP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000095425785 494975299 /nfs/dbraw/zinc/97/52/99/494975299.db2.gz JNHCCRICMGVJRY-SJORKVTESA-N 2 2 371.294 3.056 50 0 FGAALP c1cn(CCCOc2ccc(CN3CC[NH+](C4CCCC4)CC3)cc2)c[nH+]1 ZINC000220194346 497013874 /nfs/dbraw/zinc/01/38/74/497013874.db2.gz GJXOLIRAGYWZCB-UHFFFAOYSA-N 2 2 368.525 3.412 50 0 FGAALP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192637760 497171967 /nfs/dbraw/zinc/17/19/67/497171967.db2.gz ZMUYTLHEHJFODS-UHFFFAOYSA-N 2 2 370.541 3.021 50 0 FGAALP Cc1ccc2[nH]c(CCNc3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)[nH+]c2c1C ZINC000244659876 497366259 /nfs/dbraw/zinc/36/62/59/497366259.db2.gz HKICMYVCTQGUTM-GASCZTMLSA-N 2 2 350.470 3.137 50 0 FGAALP Cc1ccc2[nH+]c(CCNc3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)[nH]c2c1C ZINC000244659876 497366264 /nfs/dbraw/zinc/36/62/64/497366264.db2.gz HKICMYVCTQGUTM-GASCZTMLSA-N 2 2 350.470 3.137 50 0 FGAALP CCc1cccc(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000244899915 497374639 /nfs/dbraw/zinc/37/46/39/497374639.db2.gz ZSSRLAMUJPOWPQ-GOSISDBHSA-N 2 2 354.498 3.499 50 0 FGAALP CCc1cccc(C)c1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000244899915 497374640 /nfs/dbraw/zinc/37/46/40/497374640.db2.gz ZSSRLAMUJPOWPQ-GOSISDBHSA-N 2 2 354.498 3.499 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000426503637 500281133 /nfs/dbraw/zinc/28/11/33/500281133.db2.gz YEGAGYXCJQXMSA-QGZVFWFLSA-N 2 2 373.932 3.444 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000426503637 500281134 /nfs/dbraw/zinc/28/11/34/500281134.db2.gz YEGAGYXCJQXMSA-QGZVFWFLSA-N 2 2 373.932 3.444 50 0 FGAALP Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1C(C)C ZINC000534585444 504183770 /nfs/dbraw/zinc/18/37/70/504183770.db2.gz USQJOTQXVFAWSX-UHFFFAOYSA-N 2 2 363.531 3.107 50 0 FGAALP Cc1c[nH]c([C@H](C)NC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)[nH+]1 ZINC000534659701 504207713 /nfs/dbraw/zinc/20/77/13/504207713.db2.gz RQDVJXKLXNKGAG-KRWDZBQOSA-N 2 2 369.513 3.128 50 0 FGAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c2)[nH+]1 ZINC000584890531 507559010 /nfs/dbraw/zinc/55/90/10/507559010.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)c2)[nH+]1 ZINC000584890531 507559015 /nfs/dbraw/zinc/55/90/15/507559015.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(-c2cccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c2)c(C)[nH+]1 ZINC000584890531 507559020 /nfs/dbraw/zinc/55/90/20/507559020.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 2 2 352.482 3.392 50 0 FGAALP Cc1[nH]c(-c2cccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)c2)c(C)[nH+]1 ZINC000584890531 507559029 /nfs/dbraw/zinc/55/90/29/507559029.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 2 2 352.482 3.392 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCCc2nc(C)cs2)CC1 ZINC000096162584 522002530 /nfs/dbraw/zinc/00/25/30/522002530.db2.gz NXNZBTFKWUWBCS-UHFFFAOYSA-N 2 2 359.543 3.304 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000095511939 535437606 /nfs/dbraw/zinc/43/76/06/535437606.db2.gz KULVDEOBPOKCER-HXUWFJFHSA-N 2 2 354.498 3.030 50 0 FGAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299762953 529897333 /nfs/dbraw/zinc/89/73/33/529897333.db2.gz XFDLEDZPTKQCHG-ZCNNSNEGSA-N 2 2 366.509 3.037 50 0 FGAALP CN(CCCc1[nH+]ccn1C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299762953 529897334 /nfs/dbraw/zinc/89/73/34/529897334.db2.gz XFDLEDZPTKQCHG-ZCNNSNEGSA-N 2 2 366.509 3.037 50 0 FGAALP CCn1c(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882677 222942716 /nfs/dbraw/zinc/94/27/16/222942716.db2.gz XWJZQGDTTFPQTG-OTVXOJSOSA-N 2 2 367.419 3.154 50 0 FGAALP CCn1c(C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882677 222942719 /nfs/dbraw/zinc/94/27/19/222942719.db2.gz XWJZQGDTTFPQTG-OTVXOJSOSA-N 2 2 367.419 3.154 50 0 FGAALP CCc1oc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1C[NH+]1CCCC1 ZINC000299792020 223098697 /nfs/dbraw/zinc/09/86/97/223098697.db2.gz DKLPEQLBHUNXMD-UHFFFAOYSA-N 2 2 366.465 3.058 50 0 FGAALP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012895851 220040499 /nfs/dbraw/zinc/04/04/99/220040499.db2.gz XDVZKLBLMOETAI-UHFFFAOYSA-N 2 2 358.313 3.026 50 0 FGAALP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012895851 220040502 /nfs/dbraw/zinc/04/05/02/220040502.db2.gz XDVZKLBLMOETAI-UHFFFAOYSA-N 2 2 358.313 3.026 50 0 FGAALP Cc1[nH]c(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c[nH+]1 ZINC000071715070 221355821 /nfs/dbraw/zinc/35/58/21/221355821.db2.gz VLRODXWSAXVMIW-LJQANCHMSA-N 2 2 358.461 3.116 50 0 FGAALP Cc1[nH]c(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c[nH+]1 ZINC000071715070 221355823 /nfs/dbraw/zinc/35/58/23/221355823.db2.gz VLRODXWSAXVMIW-LJQANCHMSA-N 2 2 358.461 3.116 50 0 FGAALP Cc1nc2sccc2c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095516432 132213475 /nfs/dbraw/zinc/21/34/75/132213475.db2.gz ZNEVBRCKQIUNMI-HNNXBMFYSA-N 2 2 370.526 3.142 50 0 FGAALP c1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)sc1C[NH+]1CCCCC1 ZINC000216176291 132271338 /nfs/dbraw/zinc/27/13/38/132271338.db2.gz QSQPOIYSHKFNOL-UHFFFAOYSA-N 3 2 356.539 3.451 50 0 FGAALP COCCOc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cn1 ZINC000097034437 222154112 /nfs/dbraw/zinc/15/41/12/222154112.db2.gz KRRGRWKQMQCECU-NQIIRXRSSA-N 2 2 369.509 3.107 50 0 FGAALP COCCOc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cn1 ZINC000097034437 222154116 /nfs/dbraw/zinc/15/41/16/222154116.db2.gz KRRGRWKQMQCECU-NQIIRXRSSA-N 2 2 369.509 3.107 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000077321129 494056541 /nfs/dbraw/zinc/05/65/41/494056541.db2.gz UPFOPHBWQBVDAY-UHFFFAOYSA-N 2 2 361.921 3.393 50 0 FGAALP Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000040719940 494146061 /nfs/dbraw/zinc/14/60/61/494146061.db2.gz MBPZUPCZRGVPHR-UHFFFAOYSA-N 2 2 355.482 3.054 50 0 FGAALP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000072304576 494149659 /nfs/dbraw/zinc/14/96/59/494149659.db2.gz CFDKCANTDLYHGL-FQEVSTJZSA-N 2 2 354.498 3.034 50 0 FGAALP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000072304576 494149661 /nfs/dbraw/zinc/14/96/61/494149661.db2.gz CFDKCANTDLYHGL-FQEVSTJZSA-N 2 2 354.498 3.034 50 0 FGAALP Cc1ccsc1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072419531 494167984 /nfs/dbraw/zinc/16/79/84/494167984.db2.gz RIVHXXBSBVJHLN-INIZCTEOSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1ccsc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072419531 494167986 /nfs/dbraw/zinc/16/79/86/494167986.db2.gz RIVHXXBSBVJHLN-INIZCTEOSA-N 2 2 359.543 3.160 50 0 FGAALP Cc1ccc(-c2[nH+]ccn2C[C@@H]2CCC[N@H+](CCO)C2)c2cccnc12 ZINC000072425314 494170616 /nfs/dbraw/zinc/17/06/16/494170616.db2.gz DAEOVXMFNXMCKJ-QGZVFWFLSA-N 2 2 350.466 3.111 50 0 FGAALP Cc1ccc(-c2[nH+]ccn2C[C@@H]2CCC[N@@H+](CCO)C2)c2cccnc12 ZINC000072425314 494170618 /nfs/dbraw/zinc/17/06/18/494170618.db2.gz DAEOVXMFNXMCKJ-QGZVFWFLSA-N 2 2 350.466 3.111 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072474850 494180721 /nfs/dbraw/zinc/18/07/21/494180721.db2.gz BCGCHIZHFSFTGV-UHFFFAOYSA-N 2 2 366.490 3.486 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000072474850 494180723 /nfs/dbraw/zinc/18/07/23/494180723.db2.gz BCGCHIZHFSFTGV-UHFFFAOYSA-N 2 2 366.490 3.486 50 0 FGAALP Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072477000 494181022 /nfs/dbraw/zinc/18/10/22/494181022.db2.gz HKBRVAJCIDZTQU-HXUWFJFHSA-N 2 2 367.541 3.489 50 0 FGAALP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072477000 494181025 /nfs/dbraw/zinc/18/10/25/494181025.db2.gz HKBRVAJCIDZTQU-HXUWFJFHSA-N 2 2 367.541 3.489 50 0 FGAALP O=c1cc(C(F)F)nc(-c2cccc(C[N@@H+]3CC[C@H](n4cc[nH+]c4)C3)c2)[nH]1 ZINC000023337406 494561128 /nfs/dbraw/zinc/56/11/28/494561128.db2.gz KZNPBILYXBJOPF-HNNXBMFYSA-N 2 2 371.391 3.430 50 0 FGAALP O=c1cc(C(F)F)nc(-c2cccc(C[N@H+]3CC[C@H](n4cc[nH+]c4)C3)c2)[nH]1 ZINC000023337406 494561135 /nfs/dbraw/zinc/56/11/35/494561135.db2.gz KZNPBILYXBJOPF-HNNXBMFYSA-N 2 2 371.391 3.430 50 0 FGAALP CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091769498 494673514 /nfs/dbraw/zinc/67/35/14/494673514.db2.gz JTLNUXBVYPJDHP-LJQANCHMSA-N 2 2 364.497 3.002 50 0 FGAALP CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091769498 494673519 /nfs/dbraw/zinc/67/35/19/494673519.db2.gz JTLNUXBVYPJDHP-LJQANCHMSA-N 2 2 364.497 3.002 50 0 FGAALP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000092037120 494764626 /nfs/dbraw/zinc/76/46/26/494764626.db2.gz HTGOLXKSAOAFDO-VQFGERMISA-N 2 2 366.509 3.425 50 0 FGAALP Cc1ccccc1COc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092045894 494768775 /nfs/dbraw/zinc/76/87/75/494768775.db2.gz HSIJCXCSHUOFLC-FGZHOGPDSA-N 2 2 368.521 3.176 50 0 FGAALP Cc1ccccc1COc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000092045894 494768780 /nfs/dbraw/zinc/76/87/80/494768780.db2.gz HSIJCXCSHUOFLC-FGZHOGPDSA-N 2 2 368.521 3.176 50 0 FGAALP CCc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095362718 494964318 /nfs/dbraw/zinc/96/43/18/494964318.db2.gz PAHBUJCGHULBMO-LJQANCHMSA-N 2 2 364.497 3.002 50 0 FGAALP CCc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095362718 494964321 /nfs/dbraw/zinc/96/43/21/494964321.db2.gz PAHBUJCGHULBMO-LJQANCHMSA-N 2 2 364.497 3.002 50 0 FGAALP O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)CC1 ZINC000215074511 496977756 /nfs/dbraw/zinc/97/77/56/496977756.db2.gz OBOFRPJEBWKDGF-SFHVURJKSA-N 2 2 363.889 3.352 50 0 FGAALP O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)CC1 ZINC000215074511 496977763 /nfs/dbraw/zinc/97/77/63/496977763.db2.gz OBOFRPJEBWKDGF-SFHVURJKSA-N 2 2 363.889 3.352 50 0 FGAALP Cc1cc(C)c(C[NH+]2CCC(F)(F)CC2)cc1C[NH+]1CCN(C)CC1 ZINC000215572216 496982584 /nfs/dbraw/zinc/98/25/84/496982584.db2.gz SHNHDCGSADTAMB-UHFFFAOYSA-N 2 2 351.485 3.282 50 0 FGAALP c1cn(CCOc2ccccc2C[NH+]2CCC(c3ccncn3)CC2)c[nH+]1 ZINC000215728695 496983159 /nfs/dbraw/zinc/98/31/59/496983159.db2.gz XHCQNNOWEQUDMG-UHFFFAOYSA-N 2 2 363.465 3.132 50 0 FGAALP C[N@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919859 496984558 /nfs/dbraw/zinc/98/45/58/496984558.db2.gz OFVLHXGAGUCSOX-OAQYLSRUSA-N 2 2 371.912 3.229 50 0 FGAALP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919859 496984561 /nfs/dbraw/zinc/98/45/61/496984561.db2.gz OFVLHXGAGUCSOX-OAQYLSRUSA-N 2 2 371.912 3.229 50 0 FGAALP Nc1nc(NCCc2nc(-c3ccccc3)cs2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219894289 497012066 /nfs/dbraw/zinc/01/20/66/497012066.db2.gz ILLLTLPDMSJWGZ-UHFFFAOYSA-N 2 2 366.494 3.042 50 0 FGAALP Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000575558691 505981186 /nfs/dbraw/zinc/98/11/86/505981186.db2.gz RNLXBDGMSAZOIW-HXUWFJFHSA-N 2 2 366.509 3.382 50 0 FGAALP Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000575558691 505981189 /nfs/dbraw/zinc/98/11/89/505981189.db2.gz RNLXBDGMSAZOIW-HXUWFJFHSA-N 2 2 366.509 3.382 50 0 FGAALP COc1ncc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000284229915 499072403 /nfs/dbraw/zinc/07/24/03/499072403.db2.gz HQRAHIKCNJZXPV-CQSZACIVSA-N 2 2 360.889 3.454 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137299 526486249 /nfs/dbraw/zinc/48/62/49/526486249.db2.gz WLNDHZSIUJWBEQ-FQEVSTJZSA-N 2 2 366.509 3.123 50 0 FGAALP O=C(CC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137299 526486254 /nfs/dbraw/zinc/48/62/54/526486254.db2.gz WLNDHZSIUJWBEQ-FQEVSTJZSA-N 2 2 366.509 3.123 50 0 FGAALP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CC[NH+]4CCCCC4)[C@H]3C=C12 ZINC000020113539 220314123 /nfs/dbraw/zinc/31/41/23/220314123.db2.gz VWNJIPQRTGDQTP-ORYYHXKBSA-N 2 2 360.542 3.376 50 0 FGAALP Cc1ncc2c(c1-c1noc(-c3ccccc3-c3[nH+]ccn3C)n1)CC[NH2+]C2 ZINC000020775232 220341574 /nfs/dbraw/zinc/34/15/74/220341574.db2.gz KBOBFLHDEKMHAZ-UHFFFAOYSA-N 2 2 372.432 3.153 50 0 FGAALP CC[C@H](C)Oc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc1OC ZINC000055254981 221064603 /nfs/dbraw/zinc/06/46/03/221064603.db2.gz YQQKAWLNXYAWHE-KRWDZBQOSA-N 2 2 373.497 3.096 50 0 FGAALP c1cn(CCC[N@H+](Cc2cccnc2)Cc2cccc3c2OCO3)c[nH+]1 ZINC000055342203 221067437 /nfs/dbraw/zinc/06/74/37/221067437.db2.gz SVSZCQLHMBZBGI-UHFFFAOYSA-N 2 2 350.422 3.099 50 0 FGAALP c1cn(CCC[N@@H+](Cc2cccnc2)Cc2cccc3c2OCO3)c[nH+]1 ZINC000055342203 221067439 /nfs/dbraw/zinc/06/74/39/221067439.db2.gz SVSZCQLHMBZBGI-UHFFFAOYSA-N 2 2 350.422 3.099 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067673021 221268636 /nfs/dbraw/zinc/26/86/36/221268636.db2.gz MRYBMKUIQNFFLR-UHFFFAOYSA-N 2 2 362.481 3.254 50 0 FGAALP Cc1cc(F)ccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071419508 221347966 /nfs/dbraw/zinc/34/79/66/221347966.db2.gz DKSZVJOJIRAUSF-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(F)ccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071419508 221347974 /nfs/dbraw/zinc/34/79/74/221347974.db2.gz DKSZVJOJIRAUSF-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000071762244 221369365 /nfs/dbraw/zinc/36/93/65/221369365.db2.gz XBEBRQNGYCWCCN-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(F)c1 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ZINC000012302677 494221407 /nfs/dbraw/zinc/22/14/07/494221407.db2.gz UJZXEAIAWYANSK-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302677 494221409 /nfs/dbraw/zinc/22/14/09/494221409.db2.gz UJZXEAIAWYANSK-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302677 494221411 /nfs/dbraw/zinc/22/14/11/494221411.db2.gz UJZXEAIAWYANSK-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cc(C)n[nH]2)C1 ZINC000012302677 494221412 /nfs/dbraw/zinc/22/14/12/494221412.db2.gz UJZXEAIAWYANSK-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)CC1 ZINC000215074556 496977361 /nfs/dbraw/zinc/97/73/61/496977361.db2.gz OBOFRPJEBWKDGF-GOSISDBHSA-N 2 2 363.889 3.352 50 0 FGAALP O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)CC1 ZINC000215074556 496977363 /nfs/dbraw/zinc/97/73/63/496977363.db2.gz OBOFRPJEBWKDGF-GOSISDBHSA-N 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c1c[nH+]c([C@H]2CCC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)[nH]1 ZINC000244748528 497368938 /nfs/dbraw/zinc/36/89/38/497368938.db2.gz OJDACWGHGKHQRQ-KRWDZBQOSA-N 2 2 358.449 3.499 50 0 FGAALP CCn1cc[nH+]c1CN(C)C(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000244887817 497373562 /nfs/dbraw/zinc/37/35/62/497373562.db2.gz YPCFZBVTWBEMFE-LJQANCHMSA-N 2 2 358.461 3.228 50 0 FGAALP COCCO[C@@H]1C[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C12CCCCC2 ZINC000257186786 497386503 /nfs/dbraw/zinc/38/65/03/497386503.db2.gz ZTTBZXUBBMRTKB-OAQYLSRUSA-N 2 2 373.541 3.096 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000426548437 500288376 /nfs/dbraw/zinc/28/83/76/500288376.db2.gz FHAQMXWPNRUAHH-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000426548437 500288378 /nfs/dbraw/zinc/28/83/78/500288378.db2.gz FHAQMXWPNRUAHH-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP Cc1ccccc1[C@@H](CNC(=O)c1cccc(-c2[nH+]ccn2C)c1)[NH+](C)C ZINC000426712308 500309916 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VEFACIFKGJDAKP-NRFANRHFSA-N 2 2 370.497 3.012 50 0 FGAALP Fc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000048716775 570958898 /nfs/dbraw/zinc/95/88/98/570958898.db2.gz CSMQBSHWDVDRTB-UHFFFAOYSA-N 2 2 365.456 3.365 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC000095354477 132207164 /nfs/dbraw/zinc/20/71/64/132207164.db2.gz XLVDXHIZIDISPJ-IBGZPJMESA-N 3 2 367.541 3.493 50 0 FGAALP CCc1cc(N2CCC([NH2+]Cc3cn4cc(C)ccc4n3)CC2)nc(C)[nH+]1 ZINC000095530339 132215071 /nfs/dbraw/zinc/21/50/71/132215071.db2.gz DDWMQQSQHPNJPK-UHFFFAOYSA-N 2 2 364.497 3.062 50 0 FGAALP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](O)CC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096162222 132221621 /nfs/dbraw/zinc/22/16/21/132221621.db2.gz AZUBQGAENRFXEE-HXUWFJFHSA-N 2 2 366.509 3.268 50 0 FGAALP Cc1cc(N2CCC([N@H+]3CCC[C@@H](O)CC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096162222 132221623 /nfs/dbraw/zinc/22/16/23/132221623.db2.gz AZUBQGAENRFXEE-HXUWFJFHSA-N 2 2 366.509 3.268 50 0 FGAALP O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097717117 222206612 /nfs/dbraw/zinc/20/66/12/222206612.db2.gz ALSQUFRTOFEFIM-GOSISDBHSA-N 2 2 360.461 3.296 50 0 FGAALP O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097717117 222206616 /nfs/dbraw/zinc/20/66/16/222206616.db2.gz ALSQUFRTOFEFIM-GOSISDBHSA-N 2 2 360.461 3.296 50 0 FGAALP Cc1cc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)oc1C ZINC000072421324 494169106 /nfs/dbraw/zinc/16/91/06/494169106.db2.gz CFVOMMLKZISOID-GOSISDBHSA-N 2 2 371.529 3.390 50 0 FGAALP Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)oc1C ZINC000072421324 494169110 /nfs/dbraw/zinc/16/91/10/494169110.db2.gz CFVOMMLKZISOID-GOSISDBHSA-N 2 2 371.529 3.390 50 0 FGAALP C[NH+](C)C1(CNC(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000011915229 494197271 /nfs/dbraw/zinc/19/72/71/494197271.db2.gz KETKYTPAYSNAPK-UHFFFAOYSA-N 2 2 351.494 3.013 50 0 FGAALP O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023158474 494554672 /nfs/dbraw/zinc/55/46/72/494554672.db2.gz LQVFZWYDYZLBCQ-QGZVFWFLSA-N 2 2 371.506 3.257 50 0 FGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000075093183 494687630 /nfs/dbraw/zinc/68/76/30/494687630.db2.gz WWJKAFUEBLYBDV-RXVVDRJESA-N 2 2 351.494 3.118 50 0 FGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000075093183 494687634 /nfs/dbraw/zinc/68/76/34/494687634.db2.gz WWJKAFUEBLYBDV-RXVVDRJESA-N 2 2 351.494 3.118 50 0 FGAALP COc1ccnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095372479 494967917 /nfs/dbraw/zinc/96/79/17/494967917.db2.gz JMXAYFYHCWZUFZ-OAHLLOKOSA-N 2 2 369.494 3.171 50 0 FGAALP COc1ccnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095372479 494967919 /nfs/dbraw/zinc/96/79/19/494967919.db2.gz JMXAYFYHCWZUFZ-OAHLLOKOSA-N 2 2 369.494 3.171 50 0 FGAALP Cc1ccccc1CC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095523428 494986138 /nfs/dbraw/zinc/98/61/38/494986138.db2.gz MZTZNFMZRZGLEO-FQEVSTJZSA-N 2 2 368.525 3.092 50 0 FGAALP O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)C1(Cn2cc[nH+]c2)CC1 ZINC000219317205 497008397 /nfs/dbraw/zinc/00/83/97/497008397.db2.gz NZYPUBICFJEYJF-LJQANCHMSA-N 2 2 352.482 3.007 50 0 FGAALP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000225540639 497065667 /nfs/dbraw/zinc/06/56/67/497065667.db2.gz HZHDIISTIJKVMG-UHFFFAOYSA-N 2 2 367.541 3.349 50 0 FGAALP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000225540639 497065670 /nfs/dbraw/zinc/06/56/70/497065670.db2.gz HZHDIISTIJKVMG-UHFFFAOYSA-N 2 2 367.541 3.349 50 0 FGAALP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000252585168 497311599 /nfs/dbraw/zinc/31/15/99/497311599.db2.gz GRJNPEFJBZCTGU-IEBWSBKVSA-N 2 2 359.514 3.005 50 0 FGAALP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000252585168 497311607 /nfs/dbraw/zinc/31/16/07/497311607.db2.gz GRJNPEFJBZCTGU-IEBWSBKVSA-N 2 2 359.514 3.005 50 0 FGAALP c1ccc(C[NH+]2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cc1 ZINC000257179714 497385427 /nfs/dbraw/zinc/38/54/27/497385427.db2.gz JFRKJAXNGONTPL-JOCHJYFZSA-N 2 2 370.537 3.311 50 0 FGAALP c1ccc(C[NH+]2CCC([N@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)cc1 ZINC000257179715 497385522 /nfs/dbraw/zinc/38/55/22/497385522.db2.gz JFRKJAXNGONTPL-QFIPXVFZSA-N 2 2 370.537 3.311 50 0 FGAALP CC1CC[NH+](CCN2CC[NH+](CCOc3ccccc3Cl)CC2)CC1 ZINC000079094822 521008841 /nfs/dbraw/zinc/00/88/41/521008841.db2.gz UKCMCTBWARCVJK-UHFFFAOYSA-N 2 2 365.949 3.068 50 0 FGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000091664089 521393280 /nfs/dbraw/zinc/39/32/80/521393280.db2.gz KARFKCYVXVGKFZ-UHFFFAOYSA-N 2 2 357.502 3.375 50 0 FGAALP CCCc1nc(N2CCC([N@H+](C)CCc3ccccn3)CC2)cc(C)[nH+]1 ZINC000096162529 521502763 /nfs/dbraw/zinc/50/27/63/521502763.db2.gz REZJQWWTJQGGMW-UHFFFAOYSA-N 2 2 353.514 3.276 50 0 FGAALP CCCc1nc(N2CCC([N@@H+](C)CCc3ccccn3)CC2)cc(C)[nH+]1 ZINC000096162529 521502772 /nfs/dbraw/zinc/50/27/72/521502772.db2.gz REZJQWWTJQGGMW-UHFFFAOYSA-N 2 2 353.514 3.276 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000091713209 523203393 /nfs/dbraw/zinc/20/33/93/523203393.db2.gz MPLVEVPXNSKRHS-UHFFFAOYSA-N 2 2 364.497 3.231 50 0 FGAALP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000241465939 524449525 /nfs/dbraw/zinc/44/95/25/524449525.db2.gz NTDFOFIFNABKBU-CEWLAPEOSA-N 2 2 356.510 3.207 50 0 FGAALP O=C(CC[NH+]1CCC(c2[nH+]ccn2CC2CC2)CC1)NC1CCCCC1 ZINC000082136758 526482389 /nfs/dbraw/zinc/48/23/89/526482389.db2.gz NUSNBWBRGBVJRV-UHFFFAOYSA-N 2 2 358.530 3.312 50 0 FGAALP NC(=O)c1cccc(C[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000091460486 527081369 /nfs/dbraw/zinc/08/13/69/527081369.db2.gz MWZBCBXCZYSBQC-IBGZPJMESA-N 2 2 360.461 3.036 50 0 FGAALP NC(=O)c1cccc(C[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000091460486 527081375 /nfs/dbraw/zinc/08/13/75/527081375.db2.gz MWZBCBXCZYSBQC-IBGZPJMESA-N 2 2 360.461 3.036 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000048782494 570959438 /nfs/dbraw/zinc/95/94/38/570959438.db2.gz LVVRNQXNOXBRAT-UHFFFAOYSA-N 2 2 362.412 3.395 50 0 FGAALP Cc1cccnc1C[NH+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000670473807 571059101 /nfs/dbraw/zinc/05/91/01/571059101.db2.gz WPVWCVPGIMXHDZ-UHFFFAOYSA-N 2 2 370.566 3.365 50 0 FGAALP Cc1cccnc1CN1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000670473807 571059103 /nfs/dbraw/zinc/05/91/03/571059103.db2.gz WPVWCVPGIMXHDZ-UHFFFAOYSA-N 2 2 370.566 3.365 50 0 FGAALP Cc1ccn2cc(CNC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)[nH+]c2c1 ZINC000670459544 571355917 /nfs/dbraw/zinc/35/59/17/571355917.db2.gz GZJVYWALDYJFAW-UHFFFAOYSA-N 2 2 366.465 3.398 50 0 FGAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219779 220240493 /nfs/dbraw/zinc/24/04/93/220240493.db2.gz DMZQLZAKKRSSJV-INIZCTEOSA-N 2 2 360.498 3.083 50 0 FGAALP CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219779 220240500 /nfs/dbraw/zinc/24/05/00/220240500.db2.gz DMZQLZAKKRSSJV-INIZCTEOSA-N 2 2 360.498 3.083 50 0 FGAALP Cc1ccc(-c2nc(N3CC[C@H]([NH+](C)C)C3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065462805 221222668 /nfs/dbraw/zinc/22/26/68/221222668.db2.gz ACVSTFCVEJUECF-SFHVURJKSA-N 2 2 374.492 3.237 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745966 221357817 /nfs/dbraw/zinc/35/78/17/221357817.db2.gz DJZSALPNNVNJCJ-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745966 221357821 /nfs/dbraw/zinc/35/78/21/221357821.db2.gz DJZSALPNNVNJCJ-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1nnc(N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)c2ccccc12 ZINC000095510213 132213111 /nfs/dbraw/zinc/21/31/11/132213111.db2.gz OUGRCKPETJFVOF-UHFFFAOYSA-N 2 2 364.497 3.080 50 0 FGAALP C[C@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000077375005 494070205 /nfs/dbraw/zinc/07/02/05/494070205.db2.gz GWTFEBDQAAGKDH-LJQANCHMSA-N 2 2 354.498 3.001 50 0 FGAALP C[C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000077375005 494070209 /nfs/dbraw/zinc/07/02/09/494070209.db2.gz GWTFEBDQAAGKDH-LJQANCHMSA-N 2 2 354.498 3.001 50 0 FGAALP Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)o2)n1C ZINC000072173805 494142883 /nfs/dbraw/zinc/14/28/83/494142883.db2.gz UALRCBZYSNWNBD-QGZVFWFLSA-N 2 2 357.502 3.224 50 0 FGAALP Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)o2)n1C ZINC000072173805 494142889 /nfs/dbraw/zinc/14/28/89/494142889.db2.gz UALRCBZYSNWNBD-QGZVFWFLSA-N 2 2 357.502 3.224 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072170103 494143398 /nfs/dbraw/zinc/14/33/98/494143398.db2.gz UUYHLOZQKGWYMR-NRFANRHFSA-N 2 2 365.525 3.481 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000072410262 494166948 /nfs/dbraw/zinc/16/69/48/494166948.db2.gz OPNMBVLQMBFGQW-FQEVSTJZSA-N 2 2 363.509 3.410 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000072410262 494166950 /nfs/dbraw/zinc/16/69/50/494166950.db2.gz OPNMBVLQMBFGQW-FQEVSTJZSA-N 2 2 363.509 3.410 50 0 FGAALP COc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000020065824 494466471 /nfs/dbraw/zinc/46/64/71/494466471.db2.gz YUWPDXNBYIARFQ-UHFFFAOYSA-N 2 2 365.521 3.482 50 0 FGAALP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000023640307 494574076 /nfs/dbraw/zinc/57/40/76/494574076.db2.gz QZCJAWKUNQGHJW-YJBOKZPZSA-N 2 2 367.921 3.004 50 0 FGAALP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000023640307 494574081 /nfs/dbraw/zinc/57/40/81/494574081.db2.gz QZCJAWKUNQGHJW-YJBOKZPZSA-N 2 2 367.921 3.004 50 0 FGAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000091830426 494694628 /nfs/dbraw/zinc/69/46/28/494694628.db2.gz OQRHYVZSMJWIMO-IBGZPJMESA-N 2 2 365.481 3.095 50 0 FGAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000091830426 494694638 /nfs/dbraw/zinc/69/46/38/494694638.db2.gz OQRHYVZSMJWIMO-IBGZPJMESA-N 2 2 365.481 3.095 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095352681 494961825 /nfs/dbraw/zinc/96/18/25/494961825.db2.gz LHUBLCRUZBMNBH-MRXNPFEDSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095352681 494961828 /nfs/dbraw/zinc/96/18/28/494961828.db2.gz LHUBLCRUZBMNBH-MRXNPFEDSA-N 2 2 353.495 3.471 50 0 FGAALP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCC[N@@H+](C4CCCC4)C3)ccc2n1C ZINC000095368425 494966743 /nfs/dbraw/zinc/96/67/43/494966743.db2.gz IEPXTGLQCLIXNG-QGZVFWFLSA-N 2 2 354.498 3.153 50 0 FGAALP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCC[N@H+](C4CCCC4)C3)ccc2n1C ZINC000095368425 494966750 /nfs/dbraw/zinc/96/67/50/494966750.db2.gz IEPXTGLQCLIXNG-QGZVFWFLSA-N 2 2 354.498 3.153 50 0 FGAALP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000095425788 494974698 /nfs/dbraw/zinc/97/46/98/494974698.db2.gz JNHCCRICMGVJRY-DLBZAZTESA-N 2 2 371.294 3.056 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247725467 496908829 /nfs/dbraw/zinc/90/88/29/496908829.db2.gz CLTMUZNKYPQKCK-UHFFFAOYSA-N 2 2 357.885 3.015 50 0 FGAALP Fc1ccc([C@@H]2CC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000215417507 496980883 /nfs/dbraw/zinc/98/08/83/496980883.db2.gz BAQUWDSPUDQREB-QFIPXVFZSA-N 2 2 370.468 3.484 50 0 FGAALP Fc1ccc([C@@H]2CC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000215417507 496980887 /nfs/dbraw/zinc/98/08/87/496980887.db2.gz BAQUWDSPUDQREB-QFIPXVFZSA-N 2 2 370.468 3.484 50 0 FGAALP Cc1cc2[nH]c(CCNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)[nH+]c2cc1C ZINC000219556206 497009615 /nfs/dbraw/zinc/00/96/15/497009615.db2.gz GUBIFFZIVBPKMU-OAHLLOKOSA-N 2 2 353.470 3.420 50 0 FGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000229404406 497097663 /nfs/dbraw/zinc/09/76/63/497097663.db2.gz WWJKAFUEBLYBDV-GHTZIAJQSA-N 2 2 351.494 3.118 50 0 FGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000229404406 497097665 /nfs/dbraw/zinc/09/76/65/497097665.db2.gz WWJKAFUEBLYBDV-GHTZIAJQSA-N 2 2 351.494 3.118 50 0 FGAALP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)C1CCCCC1 ZINC000082098596 523819123 /nfs/dbraw/zinc/81/91/23/523819123.db2.gz PFAFDXPOZBZLIH-GOSISDBHSA-N 2 2 358.530 3.264 50 0 FGAALP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)C1CCCCC1 ZINC000082098596 523819130 /nfs/dbraw/zinc/81/91/30/523819130.db2.gz PFAFDXPOZBZLIH-GOSISDBHSA-N 2 2 358.530 3.264 50 0 FGAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047671888 570929562 /nfs/dbraw/zinc/92/95/62/570929562.db2.gz AEZJBWQSZMUXLS-UHFFFAOYSA-N 2 2 373.328 3.483 50 0 FGAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047671888 570929565 /nfs/dbraw/zinc/92/95/65/570929565.db2.gz AEZJBWQSZMUXLS-UHFFFAOYSA-N 2 2 373.328 3.483 50 0 FGAALP Cc1nc2ccc(Cl)cn2c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000670468354 571359183 /nfs/dbraw/zinc/35/91/83/571359183.db2.gz RBPPRKQHKAIDIA-UHFFFAOYSA-N 2 2 355.873 3.322 50 0 FGAALP Cc1[nH]c2cc(CC(=O)NC3(C[NH+]4CCCC4)CCCCC3)ccc2[nH+]1 ZINC000299758929 223083084 /nfs/dbraw/zinc/08/30/84/223083084.db2.gz FOECTJJLFUXUDK-UHFFFAOYSA-N 2 2 354.498 3.329 50 0 FGAALP Cc1[nH]c2ccc(CC(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2[nH+]1 ZINC000299758929 223083081 /nfs/dbraw/zinc/08/30/81/223083081.db2.gz FOECTJJLFUXUDK-UHFFFAOYSA-N 2 2 354.498 3.329 50 0 FGAALP Cc1[nH]c2ccc(C(=O)N3CCC[N@H+](C)C4(CC[NH+](C)CC4)C3)cc2c1C ZINC000067805517 221288422 /nfs/dbraw/zinc/28/84/22/221288422.db2.gz LYXKUUZKLODACQ-UHFFFAOYSA-N 2 2 368.525 3.027 50 0 FGAALP Cc1[nH]c2ccc(C(=O)N3CCC[N@@H+](C)C4(CC[NH+](C)CC4)C3)cc2c1C ZINC000067805517 221288425 /nfs/dbraw/zinc/28/84/25/221288425.db2.gz LYXKUUZKLODACQ-UHFFFAOYSA-N 2 2 368.525 3.027 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC(N2CC([N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000096136532 132220019 /nfs/dbraw/zinc/22/00/19/132220019.db2.gz JRDZHRKAKLBGRW-QGZVFWFLSA-N 2 2 371.573 3.265 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC(N2CC([N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000096136532 132220021 /nfs/dbraw/zinc/22/00/21/132220021.db2.gz JRDZHRKAKLBGRW-QGZVFWFLSA-N 2 2 371.573 3.265 50 0 FGAALP C[NH+]1CCC(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3F)CC2)CC1 ZINC000097547541 222189860 /nfs/dbraw/zinc/18/98/60/222189860.db2.gz RJQFGKLPKHNLCT-UHFFFAOYSA-N 2 2 359.411 3.056 50 0 FGAALP Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCCCn1cc[nH+]c1 ZINC000004292236 493871241 /nfs/dbraw/zinc/87/12/41/493871241.db2.gz DEJIQYXAXGDDTM-UHFFFAOYSA-N 2 2 367.844 3.476 50 0 FGAALP CCc1ccc(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072308290 494149651 /nfs/dbraw/zinc/14/96/51/494149651.db2.gz ZHBVJHNWXNDCKQ-UHFFFAOYSA-N 2 2 352.482 3.183 50 0 FGAALP CCc1ccc(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072308290 494149653 /nfs/dbraw/zinc/14/96/53/494149653.db2.gz ZHBVJHNWXNDCKQ-UHFFFAOYSA-N 2 2 352.482 3.183 50 0 FGAALP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000072304575 494149753 /nfs/dbraw/zinc/14/97/53/494149753.db2.gz CFDKCANTDLYHGL-HXUWFJFHSA-N 2 2 354.498 3.034 50 0 FGAALP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCn1cc[nH+]c1 ZINC000072304575 494149755 /nfs/dbraw/zinc/14/97/55/494149755.db2.gz CFDKCANTDLYHGL-HXUWFJFHSA-N 2 2 354.498 3.034 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072420161 494168736 /nfs/dbraw/zinc/16/87/36/494168736.db2.gz JDURTXMNVGDTJF-FQEVSTJZSA-N 2 2 367.541 3.223 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072420161 494168738 /nfs/dbraw/zinc/16/87/38/494168738.db2.gz JDURTXMNVGDTJF-FQEVSTJZSA-N 2 2 367.541 3.223 50 0 FGAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434434 494232651 /nfs/dbraw/zinc/23/26/51/494232651.db2.gz JJFOOMMTHJFAHG-IBGZPJMESA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434434 494232653 /nfs/dbraw/zinc/23/26/53/494232653.db2.gz JJFOOMMTHJFAHG-IBGZPJMESA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434434 494232656 /nfs/dbraw/zinc/23/26/56/494232656.db2.gz JJFOOMMTHJFAHG-IBGZPJMESA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434434 494232660 /nfs/dbraw/zinc/23/26/60/494232660.db2.gz JJFOOMMTHJFAHG-IBGZPJMESA-N 2 2 356.514 3.113 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000023263521 494559935 /nfs/dbraw/zinc/55/99/35/494559935.db2.gz MVRZZGSDXTUEAC-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1OC ZINC000091725594 494657662 /nfs/dbraw/zinc/65/76/62/494657662.db2.gz NEFBPGPPOXMACM-RBUKOAKNSA-N 2 2 367.493 3.195 50 0 FGAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1OC ZINC000091725594 494657671 /nfs/dbraw/zinc/65/76/71/494657671.db2.gz NEFBPGPPOXMACM-RBUKOAKNSA-N 2 2 367.493 3.195 50 0 FGAALP Cc1cccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c1 ZINC000095354359 494961792 /nfs/dbraw/zinc/96/17/92/494961792.db2.gz IJQXQSRFZUATON-UHFFFAOYSA-N 2 2 354.498 3.163 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000095368039 494966190 /nfs/dbraw/zinc/96/61/90/494966190.db2.gz OXABPSPEKXWYEF-OAQYLSRUSA-N 2 2 368.525 3.432 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095374138 494967351 /nfs/dbraw/zinc/96/73/51/494967351.db2.gz MTDBYQLVIOQNDA-OAQYLSRUSA-N 2 2 368.525 3.432 50 0 FGAALP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383421 494971196 /nfs/dbraw/zinc/97/11/96/494971196.db2.gz CBNXLDGKYNZDMY-IBGZPJMESA-N 2 2 369.513 3.375 50 0 FGAALP Cc1cc(N2CCC([N@H+](C)Cc3ncc[nH]3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095518448 494985287 /nfs/dbraw/zinc/98/52/87/494985287.db2.gz UPEFIHCHMBMTIA-UHFFFAOYSA-N 2 2 362.481 3.276 50 0 FGAALP Cc1cc(N2CCC([N@@H+](C)Cc3ncc[nH]3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095518448 494985297 /nfs/dbraw/zinc/98/52/97/494985297.db2.gz UPEFIHCHMBMTIA-UHFFFAOYSA-N 2 2 362.481 3.276 50 0 FGAALP CC[NH+]1CCC([N@H+](CCc2ccccn2)Cc2nc3ccccc3[nH]2)CC1 ZINC000215484486 496980722 /nfs/dbraw/zinc/98/07/22/496980722.db2.gz WXYSABOOMJTPHK-UHFFFAOYSA-N 2 2 363.509 3.487 50 0 FGAALP CC[NH+]1CCC([N@@H+](CCc2ccccn2)Cc2nc3ccccc3[nH]2)CC1 ZINC000215484486 496980725 /nfs/dbraw/zinc/98/07/25/496980725.db2.gz WXYSABOOMJTPHK-UHFFFAOYSA-N 2 2 363.509 3.487 50 0 FGAALP CC(C)C[C@@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000225421924 497063246 /nfs/dbraw/zinc/06/32/46/497063246.db2.gz YMPGWGWJJNLTRF-WMZOPIPTSA-N 2 2 363.502 3.474 50 0 FGAALP CC(C)C[C@@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000225421924 497063250 /nfs/dbraw/zinc/06/32/50/497063250.db2.gz YMPGWGWJJNLTRF-WMZOPIPTSA-N 2 2 363.502 3.474 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000095366619 535936070 /nfs/dbraw/zinc/93/60/70/535936070.db2.gz LJIDWKANCNZLLS-AWEZNQCLSA-N 2 2 367.419 3.243 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000095498029 535936385 /nfs/dbraw/zinc/93/63/85/535936385.db2.gz IQNSUWVCHFUTJM-AWEZNQCLSA-N 2 2 367.419 3.243 50 0 FGAALP Cc1ccccc1Cn1nc(C[NH2+]CCC[NH+](C)C)c(-c2ccccc2)n1 ZINC000261492158 223074634 /nfs/dbraw/zinc/07/46/34/223074634.db2.gz RZKNLBYGQPFBLC-UHFFFAOYSA-N 2 2 363.509 3.343 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069496 220145290 /nfs/dbraw/zinc/14/52/90/220145290.db2.gz JNFCZJYRHOIUJY-NRFANRHFSA-N 2 2 358.530 3.123 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069496 220145293 /nfs/dbraw/zinc/14/52/93/220145293.db2.gz JNFCZJYRHOIUJY-NRFANRHFSA-N 2 2 358.530 3.123 50 0 FGAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058245147 221110395 /nfs/dbraw/zinc/11/03/95/221110395.db2.gz VCLKOZYAKGUPKO-UHFFFAOYSA-N 2 2 372.435 3.195 50 0 FGAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000058245147 221110397 /nfs/dbraw/zinc/11/03/97/221110397.db2.gz VCLKOZYAKGUPKO-UHFFFAOYSA-N 2 2 372.435 3.195 50 0 FGAALP CSc1ccc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c(=O)[nH]c2c1 ZINC000067803502 221287614 /nfs/dbraw/zinc/28/76/14/221287614.db2.gz CXEBMLACWUKTJA-UHFFFAOYSA-N 2 2 357.523 3.310 50 0 FGAALP Cc1c(F)cccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071764089 221371828 /nfs/dbraw/zinc/37/18/28/221371828.db2.gz BMSDGYRLLRCRDA-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1c(F)cccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071764089 221371832 /nfs/dbraw/zinc/37/18/32/221371832.db2.gz BMSDGYRLLRCRDA-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH+](C)C ZINC000299788042 533452900 /nfs/dbraw/zinc/45/29/00/533452900.db2.gz VTIVSUMTLWIUHU-DOTOQJQBSA-N 2 2 372.431 3.411 50 0 FGAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH+](C)C ZINC000299788042 533452904 /nfs/dbraw/zinc/45/29/04/533452904.db2.gz VTIVSUMTLWIUHU-DOTOQJQBSA-N 2 2 372.431 3.411 50 0 FGAALP Cc1cc(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000095503546 132212637 /nfs/dbraw/zinc/21/26/37/132212637.db2.gz DRQPQZADJJQOOJ-FPOVZHCZSA-N 3 2 365.525 3.092 50 0 FGAALP Cc1cc(N2CCC([NH2+]CCc3cnccn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095505639 132212708 /nfs/dbraw/zinc/21/27/08/132212708.db2.gz WIYMHYJBFKMSRL-UHFFFAOYSA-N 2 2 374.492 3.043 50 0 FGAALP Cc1cc(C)cc(N2CC[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)c1 ZINC000072154514 136143132 /nfs/dbraw/zinc/14/31/32/136143132.db2.gz XVOJPVKSIVKJMU-PZJWPPBQSA-N 2 2 355.526 3.217 50 0 FGAALP Cc1cc(C)cc(N2CC[N@@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)c1 ZINC000072154514 136143133 /nfs/dbraw/zinc/14/31/33/136143133.db2.gz XVOJPVKSIVKJMU-PZJWPPBQSA-N 2 2 355.526 3.217 50 0 FGAALP Cc1cc(C)cc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000072154514 136143134 /nfs/dbraw/zinc/14/31/34/136143134.db2.gz XVOJPVKSIVKJMU-PZJWPPBQSA-N 2 2 355.526 3.217 50 0 FGAALP Cc1cc(C)cc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000072154514 136143135 /nfs/dbraw/zinc/14/31/35/136143135.db2.gz XVOJPVKSIVKJMU-PZJWPPBQSA-N 2 2 355.526 3.217 50 0 FGAALP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000097165385 222165886 /nfs/dbraw/zinc/16/58/86/222165886.db2.gz FUZJEVKFUIYZQN-SFHVURJKSA-N 2 2 373.541 3.022 50 0 FGAALP COc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1Cn1cccn1 ZINC000097660370 222204315 /nfs/dbraw/zinc/20/43/15/222204315.db2.gz OOLXJIJITWIAKE-IBGZPJMESA-N 2 2 365.481 3.049 50 0 FGAALP COc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1Cn1cccn1 ZINC000097660370 222204316 /nfs/dbraw/zinc/20/43/16/222204316.db2.gz OOLXJIJITWIAKE-IBGZPJMESA-N 2 2 365.481 3.049 50 0 FGAALP COc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000006007771 493948887 /nfs/dbraw/zinc/94/88/87/493948887.db2.gz KCVXQWDHTGAKST-UHFFFAOYSA-N 2 2 361.445 3.226 50 0 FGAALP C[C@@H](C1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCN(C)CC1 ZINC000077455641 494087684 /nfs/dbraw/zinc/08/76/84/494087684.db2.gz PLYAUKKIFQFTKH-AWEZNQCLSA-N 2 2 371.903 3.466 50 0 FGAALP Fc1cc(F)cc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072168113 494142147 /nfs/dbraw/zinc/14/21/47/494142147.db2.gz ZSJYNGZMFPICPM-PWRODBHTSA-N 2 2 372.463 3.114 50 0 FGAALP Fc1cc(F)cc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072168113 494142149 /nfs/dbraw/zinc/14/21/49/494142149.db2.gz ZSJYNGZMFPICPM-PWRODBHTSA-N 2 2 372.463 3.114 50 0 FGAALP COc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(Cl)c1 ZINC000072309142 494149837 /nfs/dbraw/zinc/14/98/37/494149837.db2.gz CEVKKLKQBIJSRG-CALCHBBNSA-N 2 2 365.949 3.339 50 0 FGAALP COc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(Cl)c1 ZINC000072309142 494149842 /nfs/dbraw/zinc/14/98/42/494149842.db2.gz CEVKKLKQBIJSRG-CALCHBBNSA-N 2 2 365.949 3.339 50 0 FGAALP c1c[nH+]c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000022851502 494538895 /nfs/dbraw/zinc/53/88/95/494538895.db2.gz IAYDREDRMLOKFO-FQEVSTJZSA-N 3 2 373.589 3.352 50 0 FGAALP c1c[nH+]c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000022851502 494538899 /nfs/dbraw/zinc/53/88/99/494538899.db2.gz IAYDREDRMLOKFO-FQEVSTJZSA-N 3 2 373.589 3.352 50 0 FGAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000092081517 494783477 /nfs/dbraw/zinc/78/34/77/494783477.db2.gz ARQMMOJMLZJVRM-AWEZNQCLSA-N 2 2 358.486 3.272 50 0 FGAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000092081517 494783482 /nfs/dbraw/zinc/78/34/82/494783482.db2.gz ARQMMOJMLZJVRM-AWEZNQCLSA-N 2 2 358.486 3.272 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095508665 494983370 /nfs/dbraw/zinc/98/33/70/494983370.db2.gz FLBSQLYLJIMNGK-RTBURBONSA-N 2 2 366.509 3.068 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095508665 494983375 /nfs/dbraw/zinc/98/33/75/494983375.db2.gz FLBSQLYLJIMNGK-RTBURBONSA-N 2 2 366.509 3.068 50 0 FGAALP Cc1noc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)n1 ZINC000172151082 496185530 /nfs/dbraw/zinc/18/55/30/496185530.db2.gz CQEIJTREBZXXGZ-LBPRGKRZSA-N 2 2 357.845 3.463 50 0 FGAALP c1cn(CCOc2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000214997331 496977286 /nfs/dbraw/zinc/97/72/86/496977286.db2.gz KDACUXKQTQASDM-LJQANCHMSA-N 2 2 363.465 3.132 50 0 FGAALP c1cn(CCOc2ccc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000214997331 496977288 /nfs/dbraw/zinc/97/72/88/496977288.db2.gz KDACUXKQTQASDM-LJQANCHMSA-N 2 2 363.465 3.132 50 0 FGAALP Cc1cc(C)c(C[N@H+](C)Cc2nccs2)cc1CN1CC[NH+](C)CC1 ZINC000215842963 496985314 /nfs/dbraw/zinc/98/53/14/496985314.db2.gz GFEBYTPUJWHUGN-UHFFFAOYSA-N 2 2 358.555 3.139 50 0 FGAALP Cc1cc(C)c(C[N@@H+](C)Cc2nccs2)cc1CN1CC[NH+](C)CC1 ZINC000215842963 496985318 /nfs/dbraw/zinc/98/53/18/496985318.db2.gz GFEBYTPUJWHUGN-UHFFFAOYSA-N 2 2 358.555 3.139 50 0 FGAALP CCc1ccccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000091441180 521823180 /nfs/dbraw/zinc/82/31/80/521823180.db2.gz PGMJNZVYMGXUTN-UHFFFAOYSA-N 2 2 364.497 3.002 50 0 FGAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ncnc3c(C)csc32)CC1 ZINC000095530778 535777036 /nfs/dbraw/zinc/77/70/36/535777036.db2.gz RVMJQIWUKVKGCG-HNNXBMFYSA-N 2 2 370.526 3.233 50 0 FGAALP Cn1cc[nH+]c1-c1cccc(C(=O)NC(C)(C)C[NH+]2CCCCCC2)c1 ZINC000426421818 571223070 /nfs/dbraw/zinc/22/30/70/571223070.db2.gz JPVWUDHQDHCNDM-UHFFFAOYSA-N 2 2 354.498 3.472 50 0 FGAALP Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000013722351 220089846 /nfs/dbraw/zinc/08/98/46/220089846.db2.gz KVWUFACUPUOWIU-UHFFFAOYSA-N 2 2 361.453 3.190 50 0 FGAALP CC(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071681421 221353285 /nfs/dbraw/zinc/35/32/85/221353285.db2.gz MMDUTXUJLKRZRA-HXUWFJFHSA-N 2 2 372.488 3.171 50 0 FGAALP CC(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071681421 221353287 /nfs/dbraw/zinc/35/32/87/221353287.db2.gz MMDUTXUJLKRZRA-HXUWFJFHSA-N 2 2 372.488 3.171 50 0 FGAALP Cc1ccc(F)c(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071735755 221356440 /nfs/dbraw/zinc/35/64/40/221356440.db2.gz UAXSWCRXEQTLIW-KRWDZBQOSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(F)c(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071735755 221356442 /nfs/dbraw/zinc/35/64/42/221356442.db2.gz UAXSWCRXEQTLIW-KRWDZBQOSA-N 2 2 373.516 3.089 50 0 FGAALP Fc1ccc(-c2cccc(N3CCC([NH2+]C[C@@H]4C[NH2+]CCO4)CC3)c2)cc1 ZINC000091624872 132202701 /nfs/dbraw/zinc/20/27/01/132202701.db2.gz IWNWXGYUFUXYNM-QFIPXVFZSA-N 2 2 369.484 3.040 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091781286 132204042 /nfs/dbraw/zinc/20/40/42/132204042.db2.gz BSNALJAAPNDZRR-SFHVURJKSA-N 2 2 362.481 3.371 50 0 FGAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000004700160 493887968 /nfs/dbraw/zinc/88/79/68/493887968.db2.gz PZUNZTHDSNRDOI-UHFFFAOYSA-N 2 2 370.493 3.086 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000077515851 494101971 /nfs/dbraw/zinc/10/19/71/494101971.db2.gz XKXBUDCCLHIZQX-UHFFFAOYSA-N 2 2 353.514 3.181 50 0 FGAALP CCCCc1[nH]c(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c[nH+]1 ZINC000072412337 494166796 /nfs/dbraw/zinc/16/67/96/494166796.db2.gz MAOXTPJOPZCRLY-OAQYLSRUSA-N 2 2 352.526 3.427 50 0 FGAALP CCCCc1[nH]cc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000072412337 494166798 /nfs/dbraw/zinc/16/67/98/494166798.db2.gz MAOXTPJOPZCRLY-OAQYLSRUSA-N 2 2 352.526 3.427 50 0 FGAALP Cc1cc(N2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c2ccccc2[nH+]1 ZINC000072468789 494178774 /nfs/dbraw/zinc/17/87/74/494178774.db2.gz HEXRKTLDQXMTPE-INIZCTEOSA-N 2 2 364.497 3.117 50 0 FGAALP c1cn(Cc2ccc(C[C@@H]3CC[C@H](C[NH+]4CCSCC4)O3)cc2)c[nH+]1 ZINC000072480539 494182217 /nfs/dbraw/zinc/18/22/17/494182217.db2.gz IBDTVKAIAIHGGA-VQTJNVASSA-N 2 2 357.523 3.070 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000023263550 494560126 /nfs/dbraw/zinc/56/01/26/494560126.db2.gz DSDFVTXYLGHMIL-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000095360740 494963452 /nfs/dbraw/zinc/96/34/52/494963452.db2.gz DLBWNMHJHAAMGQ-OAQYLSRUSA-N 2 2 362.477 3.408 50 0 FGAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000095512676 494984209 /nfs/dbraw/zinc/98/42/09/494984209.db2.gz VZZNTDYXQXHYAC-INIZCTEOSA-N 2 2 356.470 3.112 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095531272 494988266 /nfs/dbraw/zinc/98/82/66/494988266.db2.gz WXXPPGQVHVOEMP-INIZCTEOSA-N 2 2 373.476 3.385 50 0 FGAALP CCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000095946270 494991660 /nfs/dbraw/zinc/99/16/60/494991660.db2.gz LLOAKOPXSSXYSK-UHFFFAOYSA-N 2 2 362.493 3.068 50 0 FGAALP O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc(OCCCn3cc[nH+]c3)c1)CC2 ZINC000215845973 496984971 /nfs/dbraw/zinc/98/49/71/496984971.db2.gz PBXWYTBHFDMZOQ-UNMCSNQZSA-N 2 2 369.509 3.479 50 0 FGAALP O[C@]12CCCC[C@H]1C[N@@H+](Cc1cccc(OCCCn3cc[nH+]c3)c1)CC2 ZINC000215845973 496984975 /nfs/dbraw/zinc/98/49/75/496984975.db2.gz PBXWYTBHFDMZOQ-UNMCSNQZSA-N 2 2 369.509 3.479 50 0 FGAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000218826942 497006119 /nfs/dbraw/zinc/00/61/19/497006119.db2.gz MXFNBTPQQCHBJO-IBGZPJMESA-N 2 2 372.488 3.234 50 0 FGAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1F ZINC000218826942 497006125 /nfs/dbraw/zinc/00/61/25/497006125.db2.gz MXFNBTPQQCHBJO-IBGZPJMESA-N 2 2 372.488 3.234 50 0 FGAALP CCOC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000223721219 497041630 /nfs/dbraw/zinc/04/16/30/497041630.db2.gz ZJVOSLXLDRFQIP-UHFFFAOYSA-N 2 2 351.516 3.008 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000252532825 497310883 /nfs/dbraw/zinc/31/08/83/497310883.db2.gz FHAGHUUGIVTVRQ-XBXGTLAGSA-N 2 2 370.888 3.436 50 0 FGAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2nnc(-c3cccnc3)o2)CC1 ZINC000244852577 497372093 /nfs/dbraw/zinc/37/20/93/497372093.db2.gz UUYSNSHFLXXUPV-UHFFFAOYSA-N 2 2 352.442 3.289 50 0 FGAALP CCc1cc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)on1 ZINC000091663593 523787752 /nfs/dbraw/zinc/78/77/52/523787752.db2.gz YCPGTQYJDXWEKV-UHFFFAOYSA-N 2 2 357.483 3.318 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137298 526486833 /nfs/dbraw/zinc/48/68/33/526486833.db2.gz WLNDHZSIUJWBEQ-HXUWFJFHSA-N 2 2 366.509 3.123 50 0 FGAALP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137298 526486839 /nfs/dbraw/zinc/48/68/39/526486839.db2.gz WLNDHZSIUJWBEQ-HXUWFJFHSA-N 2 2 366.509 3.123 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000020529923 527553834 /nfs/dbraw/zinc/55/38/34/527553834.db2.gz JTUDDXBUSBRRBL-UHFFFAOYSA-N 2 2 368.452 3.229 50 0 FGAALP COc1cc[nH+]c(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1OC ZINC000426387811 571218506 /nfs/dbraw/zinc/21/85/06/571218506.db2.gz RWZZYSMFRQKJQX-OAQYLSRUSA-N 2 2 359.514 3.187 50 0 FGAALP COc1cc[nH+]c(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1OC ZINC000426387811 571218509 /nfs/dbraw/zinc/21/85/09/571218509.db2.gz RWZZYSMFRQKJQX-OAQYLSRUSA-N 2 2 359.514 3.187 50 0 FGAALP COc1cccc(C[C@@H]2C[N@H+](Cc3cc(C[NH+](C)C)cs3)CCO2)c1 ZINC000020864260 695642586 /nfs/dbraw/zinc/64/25/86/695642586.db2.gz NKZVGVPJMZIPIE-LJQANCHMSA-N 2 2 360.523 3.262 50 0 FGAALP COc1cccc(C[C@@H]2C[N@@H+](Cc3cc(C[NH+](C)C)cs3)CCO2)c1 ZINC000020864260 695642588 /nfs/dbraw/zinc/64/25/88/695642588.db2.gz NKZVGVPJMZIPIE-LJQANCHMSA-N 2 2 360.523 3.262 50 0 FGAALP COc1cc([C@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000022103813 220377427 /nfs/dbraw/zinc/37/74/27/220377427.db2.gz FPPFSSBNTOQSST-FQEVSTJZSA-N 2 2 356.466 3.097 50 0 FGAALP COc1cc([C@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000022103813 220377431 /nfs/dbraw/zinc/37/74/31/220377431.db2.gz FPPFSSBNTOQSST-FQEVSTJZSA-N 2 2 356.466 3.097 50 0 FGAALP Cc1ccc2[nH]c(CCNc3cc([C@@H]4CCC[NH2+]C4)nc(C)n3)[nH+]c2c1C ZINC000067654431 221267051 /nfs/dbraw/zinc/26/70/51/221267051.db2.gz RDIMTAGXILYTBX-MRXNPFEDSA-N 2 2 364.497 3.400 50 0 FGAALP Cc1ccc2[nH+]c(CCNc3cc([C@@H]4CCC[NH2+]C4)nc(C)n3)[nH]c2c1C ZINC000067654431 221267056 /nfs/dbraw/zinc/26/70/56/221267056.db2.gz RDIMTAGXILYTBX-MRXNPFEDSA-N 2 2 364.497 3.400 50 0 FGAALP Fc1ccc(C[C@@H]2C[N@H+](Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479424 221350163 /nfs/dbraw/zinc/35/01/63/221350163.db2.gz FMTPJUGHPUPOIX-OAQYLSRUSA-N 2 2 351.425 3.455 50 0 FGAALP Fc1ccc(C[C@@H]2C[N@@H+](Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479424 221350167 /nfs/dbraw/zinc/35/01/67/221350167.db2.gz FMTPJUGHPUPOIX-OAQYLSRUSA-N 2 2 351.425 3.455 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000071762243 221369178 /nfs/dbraw/zinc/36/91/78/221369178.db2.gz XBEBRQNGYCWCCN-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(F)c1 ZINC000071762243 221369174 /nfs/dbraw/zinc/36/91/74/221369174.db2.gz XBEBRQNGYCWCCN-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP CCOc1ccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3CC)CC2)cc1 ZINC000096160360 222060316 /nfs/dbraw/zinc/06/03/16/222060316.db2.gz CLIAPRUAUQHFPF-UHFFFAOYSA-N 2 2 371.529 3.138 50 0 FGAALP CC(C)=CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cccnc1)CC2 ZINC000097173161 222167386 /nfs/dbraw/zinc/16/73/86/222167386.db2.gz BDDOXCMUKYYCFM-UHFFFAOYSA-N 2 2 351.498 3.120 50 0 FGAALP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(Cl)c1 ZINC000072309143 494151077 /nfs/dbraw/zinc/15/10/77/494151077.db2.gz CEVKKLKQBIJSRG-IRXDYDNUSA-N 2 2 365.949 3.339 50 0 FGAALP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2nc(COc3ccccc3)no2)c[nH+]1 ZINC000012298341 494220720 /nfs/dbraw/zinc/22/07/20/494220720.db2.gz MOJYXLKNVAJLDF-QGZVFWFLSA-N 2 2 367.453 3.290 50 0 FGAALP c1cn(CC[C@H]2CCCC[N@H+]2Cc2nc(COc3ccccc3)no2)c[nH+]1 ZINC000012298341 494220724 /nfs/dbraw/zinc/22/07/24/494220724.db2.gz MOJYXLKNVAJLDF-QGZVFWFLSA-N 2 2 367.453 3.290 50 0 FGAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316751 494222991 /nfs/dbraw/zinc/22/29/91/494222991.db2.gz RDTDCEMDNRWZME-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316751 494222997 /nfs/dbraw/zinc/22/29/97/494222997.db2.gz RDTDCEMDNRWZME-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH]c(C)[nH+]2)C1 ZINC000012316751 494223002 /nfs/dbraw/zinc/22/30/02/494223002.db2.gz RDTDCEMDNRWZME-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2c[nH]c(C)[nH+]2)C1 ZINC000012316751 494223005 /nfs/dbraw/zinc/22/30/05/494223005.db2.gz RDTDCEMDNRWZME-SFHVURJKSA-N 2 2 356.514 3.113 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677105 494881072 /nfs/dbraw/zinc/88/10/72/494881072.db2.gz MBVIPVVADWMMJG-MRXNPFEDSA-N 2 2 356.495 3.079 50 0 FGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000095407043 494974082 /nfs/dbraw/zinc/97/40/82/494974082.db2.gz LTTRLQJPKZZQEW-UWJYYQICSA-N 2 2 367.493 3.309 50 0 FGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000095407043 494974085 /nfs/dbraw/zinc/97/40/85/494974085.db2.gz LTTRLQJPKZZQEW-UWJYYQICSA-N 2 2 367.493 3.309 50 0 FGAALP F[C@@H]1C[NH2+][C@H](C[NH2+]C2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000095498655 494980468 /nfs/dbraw/zinc/98/04/68/494980468.db2.gz ZQVIKGUTYVGACS-JSGCOSHPSA-N 2 2 368.909 3.208 50 0 FGAALP CCc1cccc(C)c1NC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095517686 494985164 /nfs/dbraw/zinc/98/51/64/494985164.db2.gz JGEOYXUGSWPDSJ-GOSISDBHSA-N 2 2 358.530 3.049 50 0 FGAALP CCc1cccc(C)c1NC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095517686 494985166 /nfs/dbraw/zinc/98/51/66/494985166.db2.gz JGEOYXUGSWPDSJ-GOSISDBHSA-N 2 2 358.530 3.049 50 0 FGAALP CC[N@@H+](Cc1cncn1C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095525258 494987399 /nfs/dbraw/zinc/98/73/99/494987399.db2.gz NRQABQOUIRFIMD-UHFFFAOYSA-N 3 2 361.578 3.092 50 0 FGAALP CC[N@H+](Cc1cncn1C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000095525258 494987403 /nfs/dbraw/zinc/98/74/03/494987403.db2.gz NRQABQOUIRFIMD-UHFFFAOYSA-N 3 2 361.578 3.092 50 0 FGAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1(c2ccccc2)CCC1 ZINC000171641259 495960749 /nfs/dbraw/zinc/96/07/49/495960749.db2.gz HUQVPRLZAPBTKJ-GOSISDBHSA-N 2 2 364.493 3.011 50 0 FGAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1(c2ccccc2)CCC1 ZINC000171641259 495960753 /nfs/dbraw/zinc/96/07/53/495960753.db2.gz HUQVPRLZAPBTKJ-GOSISDBHSA-N 2 2 364.493 3.011 50 0 FGAALP C[NH+](C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)c1ccc(F)cc1 ZINC000215017309 496977267 /nfs/dbraw/zinc/97/72/67/496977267.db2.gz JPSIAKCEPAQAAT-LJQANCHMSA-N 2 2 361.505 3.343 50 0 FGAALP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000215342279 496978780 /nfs/dbraw/zinc/97/87/80/496978780.db2.gz NWXOJXXIBHPMQG-INIZCTEOSA-N 2 2 351.454 3.198 50 0 FGAALP CCc1cc(C[N@H+](C)Cc2cc(C)cc(CN3CC[NH+](C)CC3)c2C)on1 ZINC000215388086 496980274 /nfs/dbraw/zinc/98/02/74/496980274.db2.gz NBLWABKZBVGABU-UHFFFAOYSA-N 2 2 370.541 3.233 50 0 FGAALP CCc1cc(C[N@@H+](C)Cc2cc(C)cc(CN3CC[NH+](C)CC3)c2C)on1 ZINC000215388086 496980278 /nfs/dbraw/zinc/98/02/78/496980278.db2.gz NBLWABKZBVGABU-UHFFFAOYSA-N 2 2 370.541 3.233 50 0 FGAALP CCc1cc(C[N@H+](C)Cc2cc(C)cc(C[NH+]3CCN(C)CC3)c2C)on1 ZINC000215388086 496980284 /nfs/dbraw/zinc/98/02/84/496980284.db2.gz NBLWABKZBVGABU-UHFFFAOYSA-N 2 2 370.541 3.233 50 0 FGAALP CCc1cc(C[N@@H+](C)Cc2cc(C)cc(C[NH+]3CCN(C)CC3)c2C)on1 ZINC000215388086 496980290 /nfs/dbraw/zinc/98/02/90/496980290.db2.gz NBLWABKZBVGABU-UHFFFAOYSA-N 2 2 370.541 3.233 50 0 FGAALP CCN(C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848079 497100522 /nfs/dbraw/zinc/10/05/22/497100522.db2.gz VEUADMIEZRXZOT-RDJZCZTQSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848079 497100528 /nfs/dbraw/zinc/10/05/28/497100528.db2.gz VEUADMIEZRXZOT-RDJZCZTQSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848079 497100533 /nfs/dbraw/zinc/10/05/33/497100533.db2.gz VEUADMIEZRXZOT-RDJZCZTQSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848079 497100538 /nfs/dbraw/zinc/10/05/38/497100538.db2.gz VEUADMIEZRXZOT-RDJZCZTQSA-N 2 2 374.554 3.311 50 0 FGAALP CSCc1noc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000244673776 497365950 /nfs/dbraw/zinc/36/59/50/497365950.db2.gz HVFBWDBUPBWNPF-CYBMUJFWSA-N 2 2 357.483 3.264 50 0 FGAALP CSCc1noc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000244673776 497365956 /nfs/dbraw/zinc/36/59/56/497365956.db2.gz HVFBWDBUPBWNPF-CYBMUJFWSA-N 2 2 357.483 3.264 50 0 FGAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(CO)cc[nH+]4)C3)C2)c1 ZINC000426538432 500286986 /nfs/dbraw/zinc/28/69/86/500286986.db2.gz NQZMNLAFMJZLTJ-JOCHJYFZSA-N 2 2 367.493 3.075 50 0 FGAALP COc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(CO)cc[nH+]4)C3)C2)c1 ZINC000426538432 500286988 /nfs/dbraw/zinc/28/69/88/500286988.db2.gz NQZMNLAFMJZLTJ-JOCHJYFZSA-N 2 2 367.493 3.075 50 0 FGAALP Cc1ccc(-c2cccc(C(=O)N(C)CCCc3[nH+]ccn3C)c2)c(N)[nH+]1 ZINC000426597385 500293557 /nfs/dbraw/zinc/29/35/57/500293557.db2.gz JYAQRRULVMQZKP-UHFFFAOYSA-N 2 2 363.465 3.078 50 0 FGAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000091350839 523204245 /nfs/dbraw/zinc/20/42/45/523204245.db2.gz NWKODIYDOPBQOS-UHFFFAOYSA-N 2 2 364.497 3.231 50 0 FGAALP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)C1CCCCC1 ZINC000082098595 523821341 /nfs/dbraw/zinc/82/13/41/523821341.db2.gz PFAFDXPOZBZLIH-SFHVURJKSA-N 2 2 358.530 3.264 50 0 FGAALP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)C1CCCCC1 ZINC000082098595 523821345 /nfs/dbraw/zinc/82/13/45/523821345.db2.gz PFAFDXPOZBZLIH-SFHVURJKSA-N 2 2 358.530 3.264 50 0 FGAALP Cc1[nH]c2ccc(CC(=O)N3CC[C@]4(C3)CCC[N@H+](CC3CC3)C4)cc2[nH+]1 ZINC000426389688 571218981 /nfs/dbraw/zinc/21/89/81/571218981.db2.gz NRGCROUXJFUAKP-JOCHJYFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2ccc(CC(=O)N3CC[C@]4(C3)CCC[N@@H+](CC3CC3)C4)cc2[nH+]1 ZINC000426389688 571218982 /nfs/dbraw/zinc/21/89/82/571218982.db2.gz NRGCROUXJFUAKP-JOCHJYFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2cc(CC(=O)N3CC[C@]4(C3)CCC[N@H+](CC3CC3)C4)ccc2[nH+]1 ZINC000426389688 571218984 /nfs/dbraw/zinc/21/89/84/571218984.db2.gz NRGCROUXJFUAKP-JOCHJYFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2cc(CC(=O)N3CC[C@]4(C3)CCC[N@@H+](CC3CC3)C4)ccc2[nH+]1 ZINC000426389688 571218985 /nfs/dbraw/zinc/21/89/85/571218985.db2.gz NRGCROUXJFUAKP-JOCHJYFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1cc(-c2cccc(C(=O)NCCC[N@@H+](C)C3CCCC3)c2)c[nH+]c1N ZINC000426412533 571221927 /nfs/dbraw/zinc/22/19/27/571221927.db2.gz YSHQJFIRETUHRF-UHFFFAOYSA-N 2 2 366.509 3.464 50 0 FGAALP Cc1cc(-c2cccc(C(=O)NCCC[N@H+](C)C3CCCC3)c2)c[nH+]c1N ZINC000426412533 571221931 /nfs/dbraw/zinc/22/19/31/571221931.db2.gz YSHQJFIRETUHRF-UHFFFAOYSA-N 2 2 366.509 3.464 50 0 FGAALP COCc1ncc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)cn1 ZINC000067804296 205392002 /nfs/dbraw/zinc/39/20/02/205392002.db2.gz VCRRQPRGIKXPBN-UHFFFAOYSA-N 2 2 351.454 3.187 50 0 FGAALP COCc1ncc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)cn1 ZINC000067804296 205392004 /nfs/dbraw/zinc/39/20/04/205392004.db2.gz VCRRQPRGIKXPBN-UHFFFAOYSA-N 2 2 351.454 3.187 50 0 FGAALP Cc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)n1 ZINC000019840565 206333875 /nfs/dbraw/zinc/33/38/75/206333875.db2.gz WJDVAXHLZWYMQA-YADHBBJMSA-N 2 2 374.488 3.084 50 0 FGAALP Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215078199 206344672 /nfs/dbraw/zinc/34/46/72/206344672.db2.gz RBVFQABBAQFMGB-IBGZPJMESA-N 2 2 367.453 3.381 50 0 FGAALP Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215078199 206344676 /nfs/dbraw/zinc/34/46/76/206344676.db2.gz RBVFQABBAQFMGB-IBGZPJMESA-N 2 2 367.453 3.381 50 0 FGAALP C[N@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919809 206351143 /nfs/dbraw/zinc/35/11/43/206351143.db2.gz OFVLHXGAGUCSOX-NRFANRHFSA-N 2 2 371.912 3.229 50 0 FGAALP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000215919809 206351149 /nfs/dbraw/zinc/35/11/49/206351149.db2.gz OFVLHXGAGUCSOX-NRFANRHFSA-N 2 2 371.912 3.229 50 0 FGAALP O[C@H](Cc1ccccc1)C1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000077287403 132179774 /nfs/dbraw/zinc/17/97/74/132179774.db2.gz OAVSYGPNBYUBEG-OAQYLSRUSA-N 2 2 362.477 3.146 50 0 FGAALP Cc1cccc(SC2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)c1 ZINC000222982598 132278116 /nfs/dbraw/zinc/27/81/16/132278116.db2.gz FEPILSYCQMYZGC-UHFFFAOYSA-N 2 2 369.538 3.333 50 0 FGAALP Cc1cccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)c1 ZINC000077337271 494060725 /nfs/dbraw/zinc/06/07/25/494060725.db2.gz PKWHMBJGBNXQGQ-UHFFFAOYSA-N 2 2 367.541 3.489 50 0 FGAALP Nc1nc(N2CCCC2)cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)[nH+]1 ZINC000071405662 494092083 /nfs/dbraw/zinc/09/20/83/494092083.db2.gz VADVFHQCNLBHKS-QGZVFWFLSA-N 2 2 367.497 3.106 50 0 FGAALP CCCCc1[nH]c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000077487599 494094265 /nfs/dbraw/zinc/09/42/65/494094265.db2.gz RAERKYXTWAPWNW-UHFFFAOYSA-N 2 2 352.526 3.427 50 0 FGAALP CCCCc1[nH]c(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)c[nH+]1 ZINC000077487599 494094270 /nfs/dbraw/zinc/09/42/70/494094270.db2.gz RAERKYXTWAPWNW-UHFFFAOYSA-N 2 2 352.526 3.427 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000077487599 494094272 /nfs/dbraw/zinc/09/42/72/494094272.db2.gz RAERKYXTWAPWNW-UHFFFAOYSA-N 2 2 352.526 3.427 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000077487599 494094277 /nfs/dbraw/zinc/09/42/77/494094277.db2.gz RAERKYXTWAPWNW-UHFFFAOYSA-N 2 2 352.526 3.427 50 0 FGAALP CC(C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071681419 494095822 /nfs/dbraw/zinc/09/58/22/494095822.db2.gz MMDUTXUJLKRZRA-FQEVSTJZSA-N 2 2 372.488 3.171 50 0 FGAALP CC(C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071681419 494095825 /nfs/dbraw/zinc/09/58/25/494095825.db2.gz MMDUTXUJLKRZRA-FQEVSTJZSA-N 2 2 372.488 3.171 50 0 FGAALP CC(C)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747575 494097063 /nfs/dbraw/zinc/09/70/63/494097063.db2.gz AZNLQWDBDATGSC-HXUWFJFHSA-N 2 2 372.488 3.171 50 0 FGAALP CC(C)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747575 494097066 /nfs/dbraw/zinc/09/70/66/494097066.db2.gz AZNLQWDBDATGSC-HXUWFJFHSA-N 2 2 372.488 3.171 50 0 FGAALP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000072289384 494147979 /nfs/dbraw/zinc/14/79/79/494147979.db2.gz BEQYPWJCQMLQPK-GOSISDBHSA-N 2 2 366.509 3.209 50 0 FGAALP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000072289384 494147983 /nfs/dbraw/zinc/14/79/83/494147983.db2.gz BEQYPWJCQMLQPK-GOSISDBHSA-N 2 2 366.509 3.209 50 0 FGAALP Cc1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)c[nH+]1 ZINC000072458704 494177713 /nfs/dbraw/zinc/17/77/13/494177713.db2.gz LCROFJQCOLTYFB-AZUAARDMSA-N 2 2 356.514 3.422 50 0 FGAALP Cc1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)c[nH+]1 ZINC000072458704 494177717 /nfs/dbraw/zinc/17/77/17/494177717.db2.gz LCROFJQCOLTYFB-AZUAARDMSA-N 2 2 356.514 3.422 50 0 FGAALP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000023640309 494574237 /nfs/dbraw/zinc/57/42/37/494574237.db2.gz QZCJAWKUNQGHJW-MAUKXSAKSA-N 2 2 367.921 3.004 50 0 FGAALP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000023640309 494574241 /nfs/dbraw/zinc/57/42/41/494574241.db2.gz QZCJAWKUNQGHJW-MAUKXSAKSA-N 2 2 367.921 3.004 50 0 FGAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000091793644 494683120 /nfs/dbraw/zinc/68/31/20/494683120.db2.gz JCVYGWORQURWHD-GOSISDBHSA-N 2 2 365.481 3.162 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330668 494723086 /nfs/dbraw/zinc/72/30/86/494723086.db2.gz AVCOYPWZCJUGSM-QGZVFWFLSA-N 2 2 356.495 3.079 50 0 FGAALP CN(C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1)c1ccccc1 ZINC000095352384 494961264 /nfs/dbraw/zinc/96/12/64/494961264.db2.gz NYMOOCYEVQKUHM-GOSISDBHSA-N 2 2 369.513 3.271 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000095376069 494968959 /nfs/dbraw/zinc/96/89/59/494968959.db2.gz CMGGPSZWJDIKHP-FQEVSTJZSA-N 2 2 366.440 3.239 50 0 FGAALP COc1cc[nH+]cc1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000294430692 498691148 /nfs/dbraw/zinc/69/11/48/498691148.db2.gz GINYDERKCROKBO-UHFFFAOYSA-N 2 2 353.466 3.009 50 0 FGAALP CCc1oc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cc1C[NH+]1CCCC1 ZINC000426647048 500300205 /nfs/dbraw/zinc/30/02/05/500300205.db2.gz JBCYEZTUDLKOFT-QGZVFWFLSA-N 2 2 370.497 3.187 50 0 FGAALP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091645636 520979669 /nfs/dbraw/zinc/97/96/69/520979669.db2.gz UFYBMTDMSNCDRK-RBUKOAKNSA-N 2 2 354.498 3.213 50 0 FGAALP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091645636 520979676 /nfs/dbraw/zinc/97/96/76/520979676.db2.gz UFYBMTDMSNCDRK-RBUKOAKNSA-N 2 2 354.498 3.213 50 0 FGAALP COc1cc(Br)cc(C[NH2+]CCC[NH+](C)C)c1OC(C)C ZINC000040719574 522027786 /nfs/dbraw/zinc/02/77/86/522027786.db2.gz LCYADVBUIFMKQX-UHFFFAOYSA-N 2 2 359.308 3.286 50 0 FGAALP Cc1c(C[NH2+]CC[NH2+]CCO)c2ccccc2n1Cc1ccccc1Cl ZINC000020477659 525726085 /nfs/dbraw/zinc/72/60/85/525726085.db2.gz SUGUYBZIQVWOHN-UHFFFAOYSA-N 2 2 371.912 3.323 50 0 FGAALP Cc1cn2cc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4C)C3)ccc2[nH+]1 ZINC000082120273 525945946 /nfs/dbraw/zinc/94/59/46/525945946.db2.gz HJDHTQIPOIOTGV-SFHVURJKSA-N 2 2 362.477 3.170 50 0 FGAALP Cc1cn2cc(C(=O)NCC[N@H+]3CC[C@H](c4ccccc4C)C3)ccc2[nH+]1 ZINC000082120273 525945954 /nfs/dbraw/zinc/94/59/54/525945954.db2.gz HJDHTQIPOIOTGV-SFHVURJKSA-N 2 2 362.477 3.170 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000095366618 535937040 /nfs/dbraw/zinc/93/70/40/535937040.db2.gz LJIDWKANCNZLLS-CQSZACIVSA-N 2 2 367.419 3.243 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000096159763 536019694 /nfs/dbraw/zinc/01/96/94/536019694.db2.gz MQXZJXPMMGHLMT-UHFFFAOYSA-N 2 2 370.545 3.469 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC([N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000096159763 536019698 /nfs/dbraw/zinc/01/96/98/536019698.db2.gz MQXZJXPMMGHLMT-UHFFFAOYSA-N 2 2 370.545 3.469 50 0 FGAALP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cc1O ZINC000048750968 205166232 /nfs/dbraw/zinc/16/62/32/205166232.db2.gz YEAKXUPBLNQROO-UHFFFAOYSA-N 2 2 374.456 3.303 50 0 FGAALP COc1c(C)c[nH+]c(CN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000057605154 205242040 /nfs/dbraw/zinc/24/20/40/205242040.db2.gz ZVJMKZBFYSYMHI-UHFFFAOYSA-N 2 2 362.518 3.158 50 0 FGAALP O=C(CCn1cc[nH+]c1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000058218844 205264213 /nfs/dbraw/zinc/26/42/13/205264213.db2.gz VYRNAIDSANHLBD-MRXNPFEDSA-N 2 2 364.852 3.019 50 0 FGAALP CCCCc1c(-c2ccccc2)[nH+]cn1CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000065370666 205340259 /nfs/dbraw/zinc/34/02/59/205340259.db2.gz OPIWWCBLRGRSBH-LJQANCHMSA-N 2 2 368.525 3.480 50 0 FGAALP CCCCc1c(-c2ccccc2)[nH+]cn1CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000065370666 205340263 /nfs/dbraw/zinc/34/02/63/205340263.db2.gz OPIWWCBLRGRSBH-LJQANCHMSA-N 2 2 368.525 3.480 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000095530905 205787477 /nfs/dbraw/zinc/78/74/77/205787477.db2.gz KYZYHULCHDIKKA-QGZVFWFLSA-N 2 2 355.486 3.246 50 0 FGAALP C[NH+]1CCC([N@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2cccnc2)CC1 ZINC000216287330 206357960 /nfs/dbraw/zinc/35/79/60/206357960.db2.gz ZNPYNUUJKBAVRX-UHFFFAOYSA-N 2 2 351.454 3.161 50 0 FGAALP C[NH+]1CCC([N@@H+](Cc2ccc(-c3cc[nH]n3)o2)Cc2cccnc2)CC1 ZINC000216287330 206357962 /nfs/dbraw/zinc/35/79/62/206357962.db2.gz ZNPYNUUJKBAVRX-UHFFFAOYSA-N 2 2 351.454 3.161 50 0 FGAALP c1cn(CCOc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000214997282 206342747 /nfs/dbraw/zinc/34/27/47/206342747.db2.gz KDACUXKQTQASDM-IBGZPJMESA-N 2 2 363.465 3.132 50 0 FGAALP c1cn(CCOc2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000214997282 206342751 /nfs/dbraw/zinc/34/27/51/206342751.db2.gz KDACUXKQTQASDM-IBGZPJMESA-N 2 2 363.465 3.132 50 0 FGAALP c1cn(CCOc2ccc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)cc2)c[nH+]1 ZINC000215284080 206345475 /nfs/dbraw/zinc/34/54/75/206345475.db2.gz AINXAWOSESGZBE-UHFFFAOYSA-N 2 2 373.460 3.438 50 0 FGAALP FC1(F)CC[NH+](Cc2cccc(OCCC[NH+]3CCOCC3)c2)CC1 ZINC000215998850 206353597 /nfs/dbraw/zinc/35/35/97/206353597.db2.gz BENPQQUGBJEXGI-UHFFFAOYSA-N 2 2 354.441 3.019 50 0 FGAALP COc1ccccc1N1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)[C@H](C)C1 ZINC000077438636 132185466 /nfs/dbraw/zinc/18/54/66/132185466.db2.gz HVJYGRJYJISBMS-QGZVFWFLSA-N 2 2 363.465 3.050 50 0 FGAALP CCCc1nc(N2CCC([NH+]3CC(n4nc(C)cc4C)C3)CC2)cc(C)[nH+]1 ZINC000095504961 132212730 /nfs/dbraw/zinc/21/27/30/132212730.db2.gz VGFZXXPGTMAXRR-UHFFFAOYSA-N 2 2 368.529 3.077 50 0 FGAALP C[C@@H](CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000077375004 494070065 /nfs/dbraw/zinc/07/00/65/494070065.db2.gz GWTFEBDQAAGKDH-IBGZPJMESA-N 2 2 354.498 3.001 50 0 FGAALP C[C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000077375004 494070067 /nfs/dbraw/zinc/07/00/67/494070067.db2.gz GWTFEBDQAAGKDH-IBGZPJMESA-N 2 2 354.498 3.001 50 0 FGAALP CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753547 494098543 /nfs/dbraw/zinc/09/85/43/494098543.db2.gz KJZJDCDIOSCOAQ-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP CCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753547 494098547 /nfs/dbraw/zinc/09/85/47/494098547.db2.gz KJZJDCDIOSCOAQ-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCCC1 ZINC000071760810 494099456 /nfs/dbraw/zinc/09/94/56/494099456.db2.gz UMVIWOIRWNXBCS-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCCC1 ZINC000071760810 494099459 /nfs/dbraw/zinc/09/94/59/494099459.db2.gz UMVIWOIRWNXBCS-LJQANCHMSA-N 2 2 373.516 3.125 50 0 FGAALP Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)no1 ZINC000072418915 494167846 /nfs/dbraw/zinc/16/78/46/494167846.db2.gz ZACAIOVESFCZFP-AWEZNQCLSA-N 2 2 365.909 3.343 50 0 FGAALP Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCCC[C@H]2CC[NH+](C)C)no1 ZINC000072418915 494167847 /nfs/dbraw/zinc/16/78/47/494167847.db2.gz ZACAIOVESFCZFP-AWEZNQCLSA-N 2 2 365.909 3.343 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000072473941 494180617 /nfs/dbraw/zinc/18/06/17/494180617.db2.gz MJBRUOAKMKDWBK-AWEZNQCLSA-N 2 2 365.884 3.049 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000072473941 494180620 /nfs/dbraw/zinc/18/06/20/494180620.db2.gz MJBRUOAKMKDWBK-AWEZNQCLSA-N 2 2 365.884 3.049 50 0 FGAALP CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012317651 494223438 /nfs/dbraw/zinc/22/34/38/494223438.db2.gz LJTJPYSLVLOVMU-NRFANRHFSA-N 2 2 371.481 3.115 50 0 FGAALP CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012317651 494223440 /nfs/dbraw/zinc/22/34/40/494223440.db2.gz LJTJPYSLVLOVMU-NRFANRHFSA-N 2 2 371.481 3.115 50 0 FGAALP c1c[nH+]c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000022851504 494538402 /nfs/dbraw/zinc/53/84/02/494538402.db2.gz IAYDREDRMLOKFO-HXUWFJFHSA-N 3 2 373.589 3.352 50 0 FGAALP c1c[nH+]c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000022851504 494538406 /nfs/dbraw/zinc/53/84/06/494538406.db2.gz IAYDREDRMLOKFO-HXUWFJFHSA-N 3 2 373.589 3.352 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000091943281 494729702 /nfs/dbraw/zinc/72/97/02/494729702.db2.gz CLNKTTNGLSIEGV-FQEVSTJZSA-N 2 2 366.509 3.181 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000091943281 494729713 /nfs/dbraw/zinc/72/97/13/494729713.db2.gz CLNKTTNGLSIEGV-FQEVSTJZSA-N 2 2 366.509 3.181 50 0 FGAALP c1sc(-c2cn(Cc3cn4ccccc4[nH+]3)nn2)cc1C[NH+]1CCCC1 ZINC000092062310 494774403 /nfs/dbraw/zinc/77/44/03/494774403.db2.gz SBCFAWXKXZKTNK-UHFFFAOYSA-N 2 2 364.478 3.298 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095357687 494962684 /nfs/dbraw/zinc/96/26/84/494962684.db2.gz KEJABXYHAYHVLB-KRWDZBQOSA-N 2 2 361.534 3.057 50 0 FGAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000095372929 494967269 /nfs/dbraw/zinc/96/72/69/494967269.db2.gz UPJJLUCHDSDARY-INIZCTEOSA-N 2 2 358.486 3.358 50 0 FGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nccc(OC)c2OC)C1 ZINC000095379661 494970121 /nfs/dbraw/zinc/97/01/21/494970121.db2.gz OBFCLJPRTNXQMP-MRXNPFEDSA-N 2 2 358.486 3.475 50 0 FGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nccc(OC)c2OC)C1 ZINC000095379661 494970125 /nfs/dbraw/zinc/97/01/25/494970125.db2.gz OBFCLJPRTNXQMP-MRXNPFEDSA-N 2 2 358.486 3.475 50 0 FGAALP Cc1ccccc1[C@H](CNC(=O)Cn1cc[nH+]c1-c1ccccc1)[NH+](C)C ZINC000095508527 494983062 /nfs/dbraw/zinc/98/30/62/494983062.db2.gz PNORNIVYHMPPLH-FQEVSTJZSA-N 2 2 362.477 3.278 50 0 FGAALP C[C@@]1(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)CCC[NH2+]C1 ZINC000096138607 495003508 /nfs/dbraw/zinc/00/35/08/495003508.db2.gz GWYAOHOYCOSKRH-CPAJTMIGSA-N 2 2 354.498 3.343 50 0 FGAALP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(C2CC2)[nH+]1 ZINC000192226818 497040668 /nfs/dbraw/zinc/04/06/68/497040668.db2.gz DBDWUHONUIVIJW-LJQANCHMSA-N 2 2 352.482 3.365 50 0 FGAALP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc(C2CC2)[nH+]1 ZINC000192226818 497040675 /nfs/dbraw/zinc/04/06/75/497040675.db2.gz DBDWUHONUIVIJW-LJQANCHMSA-N 2 2 352.482 3.365 50 0 FGAALP Cn1c(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243885548 497360735 /nfs/dbraw/zinc/36/07/35/497360735.db2.gz AACFPHKMCCYHOY-MXVIHJGJSA-N 2 2 361.493 3.319 50 0 FGAALP Cn1c(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000243885548 497360741 /nfs/dbraw/zinc/36/07/41/497360741.db2.gz AACFPHKMCCYHOY-MXVIHJGJSA-N 2 2 361.493 3.319 50 0 FGAALP Cc1ccc2[nH]c(C3CC[NH+](CC(=O)NCc4cccs4)CC3)[nH+]c2c1 ZINC000244899814 497374504 /nfs/dbraw/zinc/37/45/04/497374504.db2.gz ZQUPRJGLDJRFME-UHFFFAOYSA-N 2 2 368.506 3.429 50 0 FGAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)o1 ZINC000299768414 497917461 /nfs/dbraw/zinc/91/74/61/497917461.db2.gz KPCGCDYDAVURCF-LJQANCHMSA-N 2 2 367.493 3.052 50 0 FGAALP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCc3ccccc3C2)o1 ZINC000299768414 497917468 /nfs/dbraw/zinc/91/74/68/497917468.db2.gz KPCGCDYDAVURCF-LJQANCHMSA-N 2 2 367.493 3.052 50 0 FGAALP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000299768414 497917475 /nfs/dbraw/zinc/91/74/75/497917475.db2.gz KPCGCDYDAVURCF-LJQANCHMSA-N 2 2 367.493 3.052 50 0 FGAALP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000299768414 497917480 /nfs/dbraw/zinc/91/74/80/497917480.db2.gz KPCGCDYDAVURCF-LJQANCHMSA-N 2 2 367.493 3.052 50 0 FGAALP CCn1cc(C[N@@H+]2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cn1 ZINC000575547584 505980495 /nfs/dbraw/zinc/98/04/95/505980495.db2.gz JYQOTTPCUKYPPB-SFHVURJKSA-N 2 2 364.497 3.382 50 0 FGAALP CCn1cc(C[N@H+]2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cn1 ZINC000575547584 505980499 /nfs/dbraw/zinc/98/04/99/505980499.db2.gz JYQOTTPCUKYPPB-SFHVURJKSA-N 2 2 364.497 3.382 50 0 FGAALP C[NH+]1CCC2(CC1)CCCN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)CC2 ZINC000067688515 205384506 /nfs/dbraw/zinc/38/45/06/205384506.db2.gz VRVLKZZLKUBENE-UHFFFAOYSA-N 2 2 352.482 3.415 50 0 FGAALP O[C@H](C[N@@H+]1CCC[C@@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095347326 132206601 /nfs/dbraw/zinc/20/66/01/132206601.db2.gz DPKIVYBMKBAMHM-VQTJNVASSA-N 2 2 371.550 3.068 50 0 FGAALP O[C@H](C[N@H+]1CCC[C@@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095347326 132206602 /nfs/dbraw/zinc/20/66/02/132206602.db2.gz DPKIVYBMKBAMHM-VQTJNVASSA-N 2 2 371.550 3.068 50 0 FGAALP CC(C)n1cc[nH+]c1C1CC[NH+](CC(=O)N2CCOc3ccccc32)CC1 ZINC000252500095 132292931 /nfs/dbraw/zinc/29/29/31/132292931.db2.gz SNAYOWMNQKCFML-UHFFFAOYSA-N 2 2 368.481 3.069 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000082125728 493979668 /nfs/dbraw/zinc/97/96/68/493979668.db2.gz FRKGZNOUCGXWGR-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000082125728 493979673 /nfs/dbraw/zinc/97/96/73/493979673.db2.gz FRKGZNOUCGXWGR-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000082125728 493979676 /nfs/dbraw/zinc/97/96/76/493979676.db2.gz FRKGZNOUCGXWGR-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000082125728 493979681 /nfs/dbraw/zinc/97/96/81/493979681.db2.gz FRKGZNOUCGXWGR-QFIPXVFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1[nH+]cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000072168575 494141566 /nfs/dbraw/zinc/14/15/66/494141566.db2.gz RFSBVHGAAFBBFO-UHFFFAOYSA-N 2 2 353.388 3.231 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072170104 494142937 /nfs/dbraw/zinc/14/29/37/494142937.db2.gz UUYHLOZQKGWYMR-OAQYLSRUSA-N 2 2 365.525 3.481 50 0 FGAALP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000072289383 494148083 /nfs/dbraw/zinc/14/80/83/494148083.db2.gz BEQYPWJCQMLQPK-SFHVURJKSA-N 2 2 366.509 3.209 50 0 FGAALP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000072289383 494148085 /nfs/dbraw/zinc/14/80/85/494148085.db2.gz BEQYPWJCQMLQPK-SFHVURJKSA-N 2 2 366.509 3.209 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418959 494168325 /nfs/dbraw/zinc/16/83/25/494168325.db2.gz IUUCAPFNULXHDN-KRWDZBQOSA-N 2 2 373.932 3.444 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418959 494168331 /nfs/dbraw/zinc/16/83/31/494168331.db2.gz IUUCAPFNULXHDN-KRWDZBQOSA-N 2 2 373.932 3.444 50 0 FGAALP CCCCc1c(-c2ccccc2)[nH+]cn1CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000065370665 494190812 /nfs/dbraw/zinc/19/08/12/494190812.db2.gz OPIWWCBLRGRSBH-IBGZPJMESA-N 2 2 368.525 3.480 50 0 FGAALP CCCCc1c(-c2ccccc2)[nH+]cn1CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000065370665 494190818 /nfs/dbraw/zinc/19/08/18/494190818.db2.gz OPIWWCBLRGRSBH-IBGZPJMESA-N 2 2 368.525 3.480 50 0 FGAALP OC1CC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2cccc(F)c2)CCO3)CC1 ZINC000011813475 494191237 /nfs/dbraw/zinc/19/12/37/494191237.db2.gz PJUAAGMOAVFECJ-UHFFFAOYSA-N 2 2 370.468 3.177 50 0 FGAALP OC1CC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2cccc(F)c2)CCO3)CC1 ZINC000011813475 494191241 /nfs/dbraw/zinc/19/12/41/494191241.db2.gz PJUAAGMOAVFECJ-UHFFFAOYSA-N 2 2 370.468 3.177 50 0 FGAALP Cc1c2ccc(C)cc2oc1C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000020201431 494468743 /nfs/dbraw/zinc/46/87/43/494468743.db2.gz YCJVLDBWSFAQMF-KRWDZBQOSA-N 2 2 369.509 3.338 50 0 FGAALP Cc1c2ccc(C)cc2oc1C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000020201431 494468749 /nfs/dbraw/zinc/46/87/49/494468749.db2.gz YCJVLDBWSFAQMF-KRWDZBQOSA-N 2 2 369.509 3.338 50 0 FGAALP CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCCNc1cc[nH+]cc1C ZINC000095358357 494962218 /nfs/dbraw/zinc/96/22/18/494962218.db2.gz WBGJLJFVCJUPAT-SFHVURJKSA-N 2 2 365.481 3.482 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000095357686 494962595 /nfs/dbraw/zinc/96/25/95/494962595.db2.gz KEJABXYHAYHVLB-QGZVFWFLSA-N 2 2 361.534 3.057 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000095376068 494969155 /nfs/dbraw/zinc/96/91/55/494969155.db2.gz CMGGPSZWJDIKHP-HXUWFJFHSA-N 2 2 366.440 3.239 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095506680 494982078 /nfs/dbraw/zinc/98/20/78/494982078.db2.gz FWUXEDMQGILALE-MRXNPFEDSA-N 2 2 360.527 3.225 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1C ZINC000095526327 494987427 /nfs/dbraw/zinc/98/74/27/494987427.db2.gz NCTVHHFINXXMQL-HXUWFJFHSA-N 2 2 368.525 3.471 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000096165927 495005885 /nfs/dbraw/zinc/00/58/85/495005885.db2.gz BCWKXDRYITZXCH-UHFFFAOYSA-N 2 2 373.570 3.461 50 0 FGAALP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(F)c(Cl)c2F)CC1 ZINC000223630861 497041219 /nfs/dbraw/zinc/04/12/19/497041219.db2.gz PZPDATJTTIWNSJ-UHFFFAOYSA-N 2 2 358.860 3.289 50 0 FGAALP Fc1ccc([C@H]2CC[N@@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000243914795 497361916 /nfs/dbraw/zinc/36/19/16/497361916.db2.gz BKSDHMWRYWHKOU-JOCHJYFZSA-N 2 2 353.485 3.390 50 0 FGAALP Fc1ccc([C@H]2CC[N@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000243914795 497361918 /nfs/dbraw/zinc/36/19/18/497361918.db2.gz BKSDHMWRYWHKOU-JOCHJYFZSA-N 2 2 353.485 3.390 50 0 FGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244794740 497369922 /nfs/dbraw/zinc/36/99/22/497369922.db2.gz QSQGERWRVNOEEQ-MRXNPFEDSA-N 2 2 352.442 3.289 50 0 FGAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244794740 497369925 /nfs/dbraw/zinc/36/99/25/497369925.db2.gz QSQGERWRVNOEEQ-MRXNPFEDSA-N 2 2 352.442 3.289 50 0 FGAALP COc1ncc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000284229908 499073376 /nfs/dbraw/zinc/07/33/76/499073376.db2.gz HQRAHIKCNJZXPV-AWEZNQCLSA-N 2 2 360.889 3.454 50 0 FGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000082166174 523188127 /nfs/dbraw/zinc/18/81/27/523188127.db2.gz CYBNMNCMFFUNOX-UHFFFAOYSA-N 2 2 371.504 3.413 50 0 FGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000082091467 523188339 /nfs/dbraw/zinc/18/83/39/523188339.db2.gz KLKIRBJSXWPXLM-UHFFFAOYSA-N 2 2 371.504 3.413 50 0 FGAALP C[NH+](C)CC(=O)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000002330159 204034347 /nfs/dbraw/zinc/03/43/47/204034347.db2.gz LWXSIVIDKFOEAT-UHFFFAOYSA-N 2 2 360.461 3.298 50 0 FGAALP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000003338876 204092948 /nfs/dbraw/zinc/09/29/48/204092948.db2.gz HFAYYZNUSUPCQJ-UHFFFAOYSA-N 2 2 365.827 3.475 50 0 FGAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCn2cc[nH+]c2)cc1Cl ZINC000008583082 204335410 /nfs/dbraw/zinc/33/54/10/204335410.db2.gz JTJJUCQAZREEBD-UHFFFAOYSA-N 2 2 367.844 3.476 50 0 FGAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OC ZINC000010314070 204394900 /nfs/dbraw/zinc/39/49/00/204394900.db2.gz VCULRYKBVIINST-UHFFFAOYSA-N 2 2 368.275 3.233 50 0 FGAALP Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CC[NH2+]CCO ZINC000040720099 205077596 /nfs/dbraw/zinc/07/75/96/205077596.db2.gz ALDWTADDQWDANU-UHFFFAOYSA-N 2 2 364.489 3.399 50 0 FGAALP COCCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000055402001 205218350 /nfs/dbraw/zinc/21/83/50/205218350.db2.gz BBYZRUJRNHJUNV-UHFFFAOYSA-N 2 2 360.477 3.149 50 0 FGAALP COCCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000055402001 205218355 /nfs/dbraw/zinc/21/83/55/205218355.db2.gz BBYZRUJRNHJUNV-UHFFFAOYSA-N 2 2 360.477 3.149 50 0 FGAALP CCCOc1cccc(C[NH2+]C[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)c1 ZINC000058213548 205262644 /nfs/dbraw/zinc/26/26/44/205262644.db2.gz FRYCJMNGHVWVBR-IFMALSPDSA-N 2 2 356.510 3.476 50 0 FGAALP CN(C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095378419 205743477 /nfs/dbraw/zinc/74/34/77/205743477.db2.gz QKUUZUVETVROBY-UHFFFAOYSA-N 2 2 369.513 3.271 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095379243 205744845 /nfs/dbraw/zinc/74/48/45/205744845.db2.gz HHISMMJCGOIBIR-IBGZPJMESA-N 2 2 354.498 3.163 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000082125730 493979528 /nfs/dbraw/zinc/97/95/28/493979528.db2.gz FRKGZNOUCGXWGR-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c1 ZINC000082125730 493979533 /nfs/dbraw/zinc/97/95/33/493979533.db2.gz FRKGZNOUCGXWGR-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000082125730 493979539 /nfs/dbraw/zinc/97/95/39/493979539.db2.gz FRKGZNOUCGXWGR-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c1 ZINC000082125730 493979545 /nfs/dbraw/zinc/97/95/45/493979545.db2.gz FRKGZNOUCGXWGR-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000077388717 494074810 /nfs/dbraw/zinc/07/48/10/494074810.db2.gz SQBUPZDUUGBBEC-UHFFFAOYSA-N 2 2 365.884 3.049 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071711966 494094994 /nfs/dbraw/zinc/09/49/94/494094994.db2.gz VACHMWHUEWCCDN-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071711966 494094997 /nfs/dbraw/zinc/09/49/97/494094997.db2.gz VACHMWHUEWCCDN-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1C ZINC000071745240 494096831 /nfs/dbraw/zinc/09/68/31/494096831.db2.gz FNDFGJVFYJFWBZ-FQEVSTJZSA-N 2 2 372.488 3.127 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1C ZINC000071745240 494096833 /nfs/dbraw/zinc/09/68/33/494096833.db2.gz FNDFGJVFYJFWBZ-FQEVSTJZSA-N 2 2 372.488 3.127 50 0 FGAALP CCCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747728 494096933 /nfs/dbraw/zinc/09/69/33/494096933.db2.gz GKZHBYURIJEJOT-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP CCCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747728 494096936 /nfs/dbraw/zinc/09/69/36/494096936.db2.gz GKZHBYURIJEJOT-HXUWFJFHSA-N 2 2 372.557 3.017 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072429135 494172336 /nfs/dbraw/zinc/17/23/36/494172336.db2.gz KQSVFUOJIOZPPP-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072429135 494172338 /nfs/dbraw/zinc/17/23/38/494172338.db2.gz KQSVFUOJIOZPPP-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP CCN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011664072 494185265 /nfs/dbraw/zinc/18/52/65/494185265.db2.gz DEKXUXIFEDQNJB-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP CCN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011664072 494185269 /nfs/dbraw/zinc/18/52/69/494185269.db2.gz DEKXUXIFEDQNJB-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCCCc3ccccc3)C2)CC1 ZINC000014966842 494332050 /nfs/dbraw/zinc/33/20/50/494332050.db2.gz UDOGRLYOFMVQBJ-HXUWFJFHSA-N 2 2 357.542 3.074 50 0 FGAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCCCc3ccccc3)C2)CC1 ZINC000014966842 494332058 /nfs/dbraw/zinc/33/20/58/494332058.db2.gz UDOGRLYOFMVQBJ-HXUWFJFHSA-N 2 2 357.542 3.074 50 0 FGAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219772 494438545 /nfs/dbraw/zinc/43/85/45/494438545.db2.gz DMZQLZAKKRSSJV-MRXNPFEDSA-N 2 2 360.498 3.083 50 0 FGAALP CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000019219772 494438549 /nfs/dbraw/zinc/43/85/49/494438549.db2.gz DMZQLZAKKRSSJV-MRXNPFEDSA-N 2 2 360.498 3.083 50 0 FGAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000091769528 494673773 /nfs/dbraw/zinc/67/37/73/494673773.db2.gz DEGSPVCGBGXQNN-HXUWFJFHSA-N 2 2 366.509 3.001 50 0 FGAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000091769528 494673785 /nfs/dbraw/zinc/67/37/85/494673785.db2.gz DEGSPVCGBGXQNN-HXUWFJFHSA-N 2 2 366.509 3.001 50 0 FGAALP C[C@H](NC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1)c1ccccc1 ZINC000092065120 494773952 /nfs/dbraw/zinc/77/39/52/494773952.db2.gz VFJZVTLZXIXBNH-KRWDZBQOSA-N 2 2 369.513 3.095 50 0 FGAALP CC(C)n1cnnc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1(C)C ZINC000095459380 494977125 /nfs/dbraw/zinc/97/71/25/494977125.db2.gz GDPCZFFOUBNYKH-LJQANCHMSA-N 2 2 355.530 3.434 50 0 FGAALP CC(C)n1cnnc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1(C)C ZINC000095459380 494977127 /nfs/dbraw/zinc/97/71/27/494977127.db2.gz GDPCZFFOUBNYKH-LJQANCHMSA-N 2 2 355.530 3.434 50 0 FGAALP CCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095525929 494987563 /nfs/dbraw/zinc/98/75/63/494987563.db2.gz AFCJHSJXJZEYRZ-MRXNPFEDSA-N 2 2 374.554 3.479 50 0 FGAALP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474911 495036926 /nfs/dbraw/zinc/03/69/26/495036926.db2.gz ZCPGYINRAGXAOS-IBGZPJMESA-N 2 2 360.885 3.469 50 0 FGAALP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474911 495036929 /nfs/dbraw/zinc/03/69/29/495036929.db2.gz ZCPGYINRAGXAOS-IBGZPJMESA-N 2 2 360.885 3.469 50 0 FGAALP Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCSCC3)CC2)c(C)c1 ZINC000252482177 497302461 /nfs/dbraw/zinc/30/24/61/497302461.db2.gz DABMSYSXQASFCQ-UHFFFAOYSA-N 2 2 361.555 3.145 50 0 FGAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284668994 497860969 /nfs/dbraw/zinc/86/09/69/497860969.db2.gz WLLGUAXUXZHBBZ-LAUBAEHRSA-N 2 2 354.498 3.134 50 0 FGAALP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284668994 497860965 /nfs/dbraw/zinc/86/09/65/497860965.db2.gz WLLGUAXUXZHBBZ-LAUBAEHRSA-N 2 2 354.498 3.134 50 0 FGAALP C[NH+](C)C1(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)CC[NH+](C)CC1 ZINC000426498777 500280671 /nfs/dbraw/zinc/28/06/71/500280671.db2.gz VVKRKTYPFHFTJO-UHFFFAOYSA-N 2 2 369.484 3.249 50 0 FGAALP Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000020878039 527452345 /nfs/dbraw/zinc/45/23/45/527452345.db2.gz NTLQKLPXIQSENS-INIZCTEOSA-N 2 2 363.465 3.100 50 0 FGAALP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000058266379 205268071 /nfs/dbraw/zinc/26/80/71/205268071.db2.gz ALGFKIZFWRCSRQ-UHFFFAOYSA-N 2 2 372.435 3.195 50 0 FGAALP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000058266379 205268075 /nfs/dbraw/zinc/26/80/75/205268075.db2.gz ALGFKIZFWRCSRQ-UHFFFAOYSA-N 2 2 372.435 3.195 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000091426279 132201722 /nfs/dbraw/zinc/20/17/22/132201722.db2.gz STPUBWGPDQWZLS-UHFFFAOYSA-N 2 2 367.419 3.243 50 0 FGAALP Cc1cnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)cn1 ZINC000095519736 132214000 /nfs/dbraw/zinc/21/40/00/132214000.db2.gz ZSENUDGBKDGERP-UHFFFAOYSA-N 2 2 374.492 3.309 50 0 FGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCCC1 ZINC000071774514 494100611 /nfs/dbraw/zinc/10/06/11/494100611.db2.gz JHDOJOWPRTYAIF-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCCC1 ZINC000071774514 494100614 /nfs/dbraw/zinc/10/06/14/494100614.db2.gz JHDOJOWPRTYAIF-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP Fc1cccc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000072153066 494137012 /nfs/dbraw/zinc/13/70/12/494137012.db2.gz KGDASECCHICZGA-UHFFFAOYSA-N 2 2 350.441 3.329 50 0 FGAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)cc1 ZINC000091440111 494599551 /nfs/dbraw/zinc/59/95/51/494599551.db2.gz FOIBVTWAECJBRN-PKTZIBPZSA-N 2 2 374.569 3.180 50 0 FGAALP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)cc1 ZINC000091440111 494599554 /nfs/dbraw/zinc/59/95/54/494599554.db2.gz FOIBVTWAECJBRN-PKTZIBPZSA-N 2 2 374.569 3.180 50 0 FGAALP Cc1[nH+]c2cc(CNC(=O)C3CC[NH+](Cc4ccco4)CC3)ccc2n1C ZINC000095372556 494968011 /nfs/dbraw/zinc/96/80/11/494968011.db2.gz NUXBQEDEPBNSJL-UHFFFAOYSA-N 2 2 366.465 3.003 50 0 FGAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000095497222 494980288 /nfs/dbraw/zinc/98/02/88/494980288.db2.gz BUMIHWGSPLADLM-UHFFFAOYSA-N 2 2 367.280 3.055 50 0 FGAALP C=Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095501287 494981264 /nfs/dbraw/zinc/98/12/64/494981264.db2.gz KLUQFRFPJTWWET-HXUWFJFHSA-N 2 2 366.509 3.498 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1C ZINC000095526326 494987369 /nfs/dbraw/zinc/98/73/69/494987369.db2.gz NCTVHHFINXXMQL-FQEVSTJZSA-N 2 2 368.525 3.471 50 0 FGAALP CCN1CC[NH+](Cc2cc(C)cc(C[N@@H+](C)Cc3ccccn3)c2C)CC1 ZINC000215241167 496979458 /nfs/dbraw/zinc/97/94/58/496979458.db2.gz GEUPWKOAKBIVGU-UHFFFAOYSA-N 2 2 366.553 3.468 50 0 FGAALP O=C(NCC12CCC[NH+]1CCC2)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000244858421 497371796 /nfs/dbraw/zinc/37/17/96/497371796.db2.gz VKWAFLUQJWOHJR-LJQANCHMSA-N 2 2 359.489 3.097 50 0 FGAALP Cc1cc(N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)[nH+]c2cc(F)ccc12 ZINC000299787956 497923308 /nfs/dbraw/zinc/92/33/08/497923308.db2.gz UDTOZQNASPOCIP-UYAOXDASSA-N 2 2 366.440 3.125 50 0 FGAALP Cc1cc(N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)[nH+]c2cc(F)ccc12 ZINC000299787956 497923311 /nfs/dbraw/zinc/92/33/11/497923311.db2.gz UDTOZQNASPOCIP-UYAOXDASSA-N 2 2 366.440 3.125 50 0 FGAALP CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000095360939 535097924 /nfs/dbraw/zinc/09/79/24/535097924.db2.gz XOCUUZPBJQRYEC-IBGZPJMESA-N 2 2 369.513 3.075 50 0 FGAALP Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)s1 ZINC000095359380 700458586 /nfs/dbraw/zinc/45/85/86/700458586.db2.gz MVTDATIWRMFWMW-UHFFFAOYSA-N 2 2 360.527 3.225 50 0 FGAALP Clc1cccc(-n2ncc3c2nc[nH+]c3NCCCn2cc[nH+]c2)c1 ZINC000008583002 204334573 /nfs/dbraw/zinc/33/45/73/204334573.db2.gz HTQOSQXUZHHCHY-UHFFFAOYSA-N 2 2 353.817 3.168 50 0 FGAALP OCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055090377 205207519 /nfs/dbraw/zinc/20/75/19/205207519.db2.gz OFRWUJYIVWJENE-NRFANRHFSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055090377 205207524 /nfs/dbraw/zinc/20/75/24/205207524.db2.gz OFRWUJYIVWJENE-NRFANRHFSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055090377 205207529 /nfs/dbraw/zinc/20/75/29/205207529.db2.gz OFRWUJYIVWJENE-NRFANRHFSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055090377 205207530 /nfs/dbraw/zinc/20/75/30/205207530.db2.gz OFRWUJYIVWJENE-NRFANRHFSA-N 2 2 358.457 3.399 50 0 FGAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1SCc1ccccc1F ZINC000055167041 205210423 /nfs/dbraw/zinc/21/04/23/205210423.db2.gz IRVNVEKIAJYCRB-INIZCTEOSA-N 2 2 370.453 3.350 50 0 FGAALP C[NH+](C)Cc1ccccc1CNC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000058379456 205274753 /nfs/dbraw/zinc/27/47/53/205274753.db2.gz PTPDUUTYWXBAFC-UHFFFAOYSA-N 2 2 362.477 3.292 50 0 FGAALP CC[N@@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015065920 220144585 /nfs/dbraw/zinc/14/45/85/220144585.db2.gz IXAOQYNSCRIYMO-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CC[N@H+](Cc1cc[nH]n1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015065920 220144588 /nfs/dbraw/zinc/14/45/88/220144588.db2.gz IXAOQYNSCRIYMO-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CC[NH+](Cc1cc[nH]n1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015065920 220144590 /nfs/dbraw/zinc/14/45/90/220144590.db2.gz IXAOQYNSCRIYMO-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CC[NH+](Cc1cc[nH]n1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000015065920 220144594 /nfs/dbraw/zinc/14/45/94/220144594.db2.gz IXAOQYNSCRIYMO-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CCNc1cc[nH+]c(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000067834231 205396407 /nfs/dbraw/zinc/39/64/07/205396407.db2.gz WRLJXPIHIFAMHU-UHFFFAOYSA-N 2 2 360.465 3.478 50 0 FGAALP Cc1ccc(F)c(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)c1Cl ZINC000067872749 205399513 /nfs/dbraw/zinc/39/95/13/205399513.db2.gz YLPFTXQFHFZTBL-UHFFFAOYSA-N 2 2 367.896 3.030 50 0 FGAALP Cc1ccc(F)c(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c1Cl ZINC000067872749 205399518 /nfs/dbraw/zinc/39/95/18/205399518.db2.gz YLPFTXQFHFZTBL-UHFFFAOYSA-N 2 2 367.896 3.030 50 0 FGAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000095529746 205784108 /nfs/dbraw/zinc/78/41/08/205784108.db2.gz BXRVTSIUMRLXFZ-HXUWFJFHSA-N 2 2 366.509 3.104 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000095528889 205784267 /nfs/dbraw/zinc/78/42/67/205784267.db2.gz ZPPXTHHTTDOLOH-KRWDZBQOSA-N 2 2 374.554 3.235 50 0 FGAALP CCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000010314064 206270146 /nfs/dbraw/zinc/27/01/46/206270146.db2.gz JAKXXGDXAXCXLC-UHFFFAOYSA-N 2 2 368.275 3.233 50 0 FGAALP Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215078247 206344399 /nfs/dbraw/zinc/34/43/99/206344399.db2.gz RBVFQABBAQFMGB-LJQANCHMSA-N 2 2 367.453 3.381 50 0 FGAALP Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(OCCn3cc[nH+]c3)cc2)n1 ZINC000215078247 206344405 /nfs/dbraw/zinc/34/44/05/206344405.db2.gz RBVFQABBAQFMGB-LJQANCHMSA-N 2 2 367.453 3.381 50 0 FGAALP c1cc2c(nc[nH+]c2N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)[nH]1 ZINC000095371524 132208605 /nfs/dbraw/zinc/20/86/05/132208605.db2.gz ISLHOXXRVVWSMZ-CYBMUJFWSA-N 2 2 365.466 3.043 50 0 FGAALP CCCc1nc(N2CCC(N3CC([N@@H+]4CCCC[C@H]4C)C3)CC2)cc(C)[nH+]1 ZINC000095521173 132214085 /nfs/dbraw/zinc/21/40/85/132214085.db2.gz IIOJXNDDWDDBBT-GOSISDBHSA-N 2 2 371.573 3.265 50 0 FGAALP CCCc1nc(N2CCC(N3CC([N@H+]4CCCC[C@H]4C)C3)CC2)cc(C)[nH+]1 ZINC000095521173 132214086 /nfs/dbraw/zinc/21/40/86/132214086.db2.gz IIOJXNDDWDDBBT-GOSISDBHSA-N 2 2 371.573 3.265 50 0 FGAALP CCCc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)o1 ZINC000077423284 494081302 /nfs/dbraw/zinc/08/13/02/494081302.db2.gz QNRHNAXHUSABFJ-UHFFFAOYSA-N 2 2 371.529 3.336 50 0 FGAALP CC(C)C[C@H](O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000077426859 494081540 /nfs/dbraw/zinc/08/15/40/494081540.db2.gz CDURCNRYHAVQOT-QFIPXVFZSA-N 2 2 360.542 3.138 50 0 FGAALP c1cn(CCOc2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc2)c[nH+]1 ZINC000077436921 494081583 /nfs/dbraw/zinc/08/15/83/494081583.db2.gz NEHQTTOGJDQKPJ-UHFFFAOYSA-N 2 2 368.525 3.412 50 0 FGAALP c1cn(CCOc2ccc(CN3CCC[N@H+](C4CCCC4)CC3)cc2)c[nH+]1 ZINC000077436921 494081588 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ZWIKAFAINFXBQW-QFIPXVFZSA-N 2 2 373.504 3.006 50 0 FGAALP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2[nH+]ccn2c1 ZINC000068385696 493808027 /nfs/dbraw/zinc/80/80/27/493808027.db2.gz IWNHMYYABACVSZ-UHFFFAOYSA-N 2 2 368.868 3.382 50 0 FGAALP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1F ZINC000032735916 494010448 /nfs/dbraw/zinc/01/04/48/494010448.db2.gz FZAOTGKBUCCWOK-UHFFFAOYSA-N 2 2 358.461 3.378 50 0 FGAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077515765 494102034 /nfs/dbraw/zinc/10/20/34/494102034.db2.gz DBEUDTSEWTZWDQ-KRWDZBQOSA-N 2 2 360.395 3.267 50 0 FGAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077515765 494102037 /nfs/dbraw/zinc/10/20/37/494102037.db2.gz DBEUDTSEWTZWDQ-KRWDZBQOSA-N 2 2 360.395 3.267 50 0 FGAALP Cc1[nH+]c2ccccc2n1CC1CC[NH+](CC(=O)Nc2cccnc2)CC1 ZINC000038535790 494113351 /nfs/dbraw/zinc/11/33/51/494113351.db2.gz CKYVHQFPFISWGO-UHFFFAOYSA-N 2 2 363.465 3.090 50 0 FGAALP COCCC[N@H+](Cc1cnc(-c2cccs2)nc1)C1CC[NH+](C)CC1 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50 0 FGAALP CCc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)on1 ZINC000095387174 494972147 /nfs/dbraw/zinc/97/21/47/494972147.db2.gz HMDJBNUYHLZIMI-AWEZNQCLSA-N 2 2 357.483 3.318 50 0 FGAALP CCc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)on1 ZINC000095387174 494972149 /nfs/dbraw/zinc/97/21/49/494972149.db2.gz HMDJBNUYHLZIMI-AWEZNQCLSA-N 2 2 357.483 3.318 50 0 FGAALP Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095506679 494982439 /nfs/dbraw/zinc/98/24/39/494982439.db2.gz FWUXEDMQGILALE-INIZCTEOSA-N 2 2 360.527 3.225 50 0 FGAALP O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097717120 495043977 /nfs/dbraw/zinc/04/39/77/495043977.db2.gz ALSQUFRTOFEFIM-SFHVURJKSA-N 2 2 360.461 3.296 50 0 FGAALP O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097717120 495043984 /nfs/dbraw/zinc/04/39/84/495043984.db2.gz ALSQUFRTOFEFIM-SFHVURJKSA-N 2 2 360.461 3.296 50 0 FGAALP CC[NH+](CC)CCc1ccc(NC(=O)NCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000252493981 497306299 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FGAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000096138561 536020160 /nfs/dbraw/zinc/02/01/60/536020160.db2.gz HDVQBQFXSQLADN-NRFANRHFSA-N 2 2 350.510 3.463 50 0 FGAALP Cc1nc(NCC2([NH+]3CCCCC3)CCCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426374431 571216807 /nfs/dbraw/zinc/21/68/07/571216807.db2.gz UQPJYWZYBZBPQJ-GOSISDBHSA-N 2 2 358.530 3.312 50 0 FGAALP Cc1[nH]c2ccc(CC(=O)N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)cc2[nH+]1 ZINC000426389690 571218827 /nfs/dbraw/zinc/21/88/27/571218827.db2.gz NRGCROUXJFUAKP-QFIPXVFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2ccc(CC(=O)N3CC[C@@]4(C3)CCC[N@@H+](CC3CC3)C4)cc2[nH+]1 ZINC000426389690 571218830 /nfs/dbraw/zinc/21/88/30/571218830.db2.gz NRGCROUXJFUAKP-QFIPXVFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2cc(CC(=O)N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)ccc2[nH+]1 ZINC000426389690 571218831 /nfs/dbraw/zinc/21/88/31/571218831.db2.gz NRGCROUXJFUAKP-QFIPXVFZSA-N 2 2 366.509 3.138 50 0 FGAALP Cc1[nH]c2cc(CC(=O)N3CC[C@@]4(C3)CCC[N@@H+](CC3CC3)C4)ccc2[nH+]1 ZINC000426389690 571218833 /nfs/dbraw/zinc/21/88/33/571218833.db2.gz NRGCROUXJFUAKP-QFIPXVFZSA-N 2 2 366.509 3.138 50 0 FGAALP C[NH+](C)CCCn1c2ccccc2[nH+]c1NCc1ccc2c(c1)OCO2 ZINC000004741697 204160616 /nfs/dbraw/zinc/16/06/16/204160616.db2.gz LJBADYQSGXSBGN-UHFFFAOYSA-N 2 2 352.438 3.329 50 0 FGAALP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000215342236 206345801 /nfs/dbraw/zinc/34/58/01/206345801.db2.gz NWXOJXXIBHPMQG-MRXNPFEDSA-N 2 2 351.454 3.198 50 0 FGAALP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000215342236 206345804 /nfs/dbraw/zinc/34/58/04/206345804.db2.gz NWXOJXXIBHPMQG-MRXNPFEDSA-N 2 2 351.454 3.198 50 0 FGAALP CN(C)c1cc[nH+]c(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000071315629 136138979 /nfs/dbraw/zinc/13/89/79/136138979.db2.gz UMTKYVPEELVKHJ-UHFFFAOYSA-N 2 2 360.465 3.112 50 0 FGAALP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000004140872 493866033 /nfs/dbraw/zinc/86/60/33/493866033.db2.gz HGIWURKGWWERTO-NNMXDRDESA-N 2 2 369.553 3.470 50 0 FGAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)o1 ZINC000077356444 494066720 /nfs/dbraw/zinc/06/67/20/494066720.db2.gz SVGAIBHREPBTQP-UHFFFAOYSA-N 2 2 369.513 3.490 50 0 FGAALP c1cn(CCOc2ccc(C[NH+]3CCC4(CCOCC4)CC3)cc2)c[nH+]1 ZINC000072127218 494129375 /nfs/dbraw/zinc/12/93/75/494129375.db2.gz GWPVQYGSGSSBQN-UHFFFAOYSA-N 2 2 355.482 3.355 50 0 FGAALP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)n1C ZINC000012317772 494222633 /nfs/dbraw/zinc/22/26/33/494222633.db2.gz OCSOAWFDYMHMOV-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)n1C ZINC000012317772 494222635 /nfs/dbraw/zinc/22/26/35/494222635.db2.gz OCSOAWFDYMHMOV-OAQYLSRUSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069498 494336991 /nfs/dbraw/zinc/33/69/91/494336991.db2.gz JNFCZJYRHOIUJY-OAQYLSRUSA-N 2 2 358.530 3.123 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)n1C ZINC000015069498 494336993 /nfs/dbraw/zinc/33/69/93/494336993.db2.gz JNFCZJYRHOIUJY-OAQYLSRUSA-N 2 2 358.530 3.123 50 0 FGAALP C[C@@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019370661 494443927 /nfs/dbraw/zinc/44/39/27/494443927.db2.gz LAANVYLBPQYPTP-GOSISDBHSA-N 2 2 364.489 3.479 50 0 FGAALP Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cc1F ZINC000095369866 494966771 /nfs/dbraw/zinc/96/67/71/494966771.db2.gz IRFLBVBGUQJARI-UHFFFAOYSA-N 2 2 372.488 3.302 50 0 FGAALP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000095425787 494974737 /nfs/dbraw/zinc/97/47/37/494974737.db2.gz JNHCCRICMGVJRY-IAGOWNOFSA-N 2 2 371.294 3.056 50 0 FGAALP O=C(NC[C@@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000095523777 494986157 /nfs/dbraw/zinc/98/61/57/494986157.db2.gz IMYLLIMCOYXUDK-KRWDZBQOSA-N 2 2 362.477 3.247 50 0 FGAALP O=C(NC[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000095523777 494986160 /nfs/dbraw/zinc/98/61/60/494986160.db2.gz IMYLLIMCOYXUDK-KRWDZBQOSA-N 2 2 362.477 3.247 50 0 FGAALP CC(C)n1cc[nH+]c1C1CCN(c2[nH+]c3ccccc3n2CCO)CC1 ZINC000095526366 494987499 /nfs/dbraw/zinc/98/74/99/494987499.db2.gz GEUKYKYXFDEXOY-UHFFFAOYSA-N 2 2 353.470 3.190 50 0 FGAALP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCc4ccccc4C3)o2)CC1 ZINC000299790523 497925255 /nfs/dbraw/zinc/92/52/55/497925255.db2.gz ATIANQGJMPIVFD-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCc4ccccc4C3)o2)CC1 ZINC000299790523 497925264 /nfs/dbraw/zinc/92/52/64/497925264.db2.gz ATIANQGJMPIVFD-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP CC[NH+]1CCCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)o2)CC1 ZINC000299790523 497925271 /nfs/dbraw/zinc/92/52/71/497925271.db2.gz ATIANQGJMPIVFD-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP CC[NH+]1CCCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)o2)CC1 ZINC000299790523 497925274 /nfs/dbraw/zinc/92/52/74/497925274.db2.gz ATIANQGJMPIVFD-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP Cc1[nH]c(C)c(-c2cccc(C(=O)NCc3c[nH+]cn3CC(C)C)c2)[nH+]1 ZINC000584890295 507559260 /nfs/dbraw/zinc/55/92/60/507559260.db2.gz NVQWGILUBBUSPN-UHFFFAOYSA-N 2 2 351.454 3.476 50 0 FGAALP CC(C)n1cc[nH+]c1[C@@H]1CCCN(c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000095360938 535097136 /nfs/dbraw/zinc/09/71/36/535097136.db2.gz XOCUUZPBJQRYEC-LJQANCHMSA-N 2 2 369.513 3.075 50 0 FGAALP CC1(C)C[C@H]([NH2+]C2CCN(c3ccc(-n4cc[nH+]c4)cc3)CC2)CCO1 ZINC000063832726 535367804 /nfs/dbraw/zinc/36/78/04/535367804.db2.gz DXCRIJFPEWOHHR-GOSISDBHSA-N 2 2 354.498 3.388 50 0 FGAALP CN(C(=O)c1cnc(C[NH+]2CCCC2)s1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097694852 209193004 /nfs/dbraw/zinc/19/30/04/209193004.db2.gz ZZQSIEMHUXCAGZ-QGZVFWFLSA-N 2 2 372.538 3.114 50 0 FGAALP Cc1c(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)[nH]c2c1cccc2Cl ZINC000097694900 209192582 /nfs/dbraw/zinc/19/25/82/209192582.db2.gz XBJWJBOEPCTFNG-UHFFFAOYSA-N 2 2 358.873 3.353 50 0 FGAALP CC(C)=CCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cc(C)no1)CC2 ZINC000097436926 209181945 /nfs/dbraw/zinc/18/19/45/209181945.db2.gz KYTDHKUQPLZQQS-UHFFFAOYSA-N 2 2 355.486 3.022 50 0 FGAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC000096140479 209121215 /nfs/dbraw/zinc/12/12/15/209121215.db2.gz MTSMETNRQHYNIE-LJQANCHMSA-N 2 2 354.498 3.470 50 0 FGAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC000096140479 209121217 /nfs/dbraw/zinc/12/12/17/209121217.db2.gz MTSMETNRQHYNIE-LJQANCHMSA-N 2 2 354.498 3.470 50 0 FGAALP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cn1 ZINC000011774730 207321253 /nfs/dbraw/zinc/32/12/53/207321253.db2.gz FJEQPRKXKOSDPC-IBGZPJMESA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cn1 ZINC000011774730 207321256 /nfs/dbraw/zinc/32/12/56/207321256.db2.gz FJEQPRKXKOSDPC-IBGZPJMESA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cn1 ZINC000011774730 207321261 /nfs/dbraw/zinc/32/12/61/207321261.db2.gz FJEQPRKXKOSDPC-IBGZPJMESA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cn1 ZINC000011774730 207321265 /nfs/dbraw/zinc/32/12/65/207321265.db2.gz FJEQPRKXKOSDPC-IBGZPJMESA-N 2 2 370.541 3.298 50 0 FGAALP CC[N@@H+](Cc1ccon1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011817675 207322874 /nfs/dbraw/zinc/32/28/74/207322874.db2.gz TYIBBCZMIAJOQM-IBGZPJMESA-N 2 2 357.498 3.460 50 0 FGAALP CC[N@H+](Cc1ccon1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011817675 207322877 /nfs/dbraw/zinc/32/28/77/207322877.db2.gz TYIBBCZMIAJOQM-IBGZPJMESA-N 2 2 357.498 3.460 50 0 FGAALP CC[NH+](Cc1ccon1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011817675 207322880 /nfs/dbraw/zinc/32/28/80/207322880.db2.gz TYIBBCZMIAJOQM-IBGZPJMESA-N 2 2 357.498 3.460 50 0 FGAALP CC[NH+](Cc1ccon1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011817675 207322883 /nfs/dbraw/zinc/32/28/83/207322883.db2.gz TYIBBCZMIAJOQM-IBGZPJMESA-N 2 2 357.498 3.460 50 0 FGAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012305251 207358362 /nfs/dbraw/zinc/35/83/62/207358362.db2.gz FLBYRMVPRFVGMY-FQEVSTJZSA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012305251 207358368 /nfs/dbraw/zinc/35/83/68/207358368.db2.gz FLBYRMVPRFVGMY-FQEVSTJZSA-N 2 2 370.541 3.298 50 0 FGAALP Cc1noc(C)c1C[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091871862 209001471 /nfs/dbraw/zinc/00/14/71/209001471.db2.gz WUILPQBFDHQRRS-UHFFFAOYSA-N 2 2 357.483 3.372 50 0 FGAALP C[C@H](O)C[NH+]1CCC(CN(C)c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000095997119 209094955 /nfs/dbraw/zinc/09/49/55/209094955.db2.gz JDTWNCUZFHVMNC-SFHVURJKSA-N 2 2 369.509 3.190 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000095362479 209029172 /nfs/dbraw/zinc/02/91/72/209029172.db2.gz BSWAGMXVHDTWKT-HXUWFJFHSA-N 2 2 366.440 3.239 50 0 FGAALP Fc1ccc(-c2cccc(N3CCC([NH2+]C[C@H]4C[NH2+]CCO4)CC3)c2)cc1 ZINC000091624873 132202624 /nfs/dbraw/zinc/20/26/24/132202624.db2.gz IWNWXGYUFUXYNM-JOCHJYFZSA-N 2 2 369.484 3.040 50 0 FGAALP CSc1nccc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC000095383436 132209900 /nfs/dbraw/zinc/20/99/00/132209900.db2.gz DJRDCSHYQYGQJR-INIZCTEOSA-N 2 2 374.558 3.068 50 0 FGAALP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(Cl)c1OC ZINC000097475556 132229306 /nfs/dbraw/zinc/22/93/06/132229306.db2.gz FPGHWANDSONKID-UHFFFAOYSA-N 2 2 361.873 3.383 50 0 FGAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000095522091 209074298 /nfs/dbraw/zinc/07/42/98/209074298.db2.gz NDFNSMPHVIZQEO-UHFFFAOYSA-N 2 2 374.488 3.415 50 0 FGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(C)cc2)c1=[NH2+] ZINC000000845915 493776001 /nfs/dbraw/zinc/77/60/01/493776001.db2.gz DFYJEMWNWBXNDV-OAQYLSRUSA-N 2 2 366.509 3.306 50 0 FGAALP CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NCCC[NH+]1CCOCC1 ZINC000001911120 493799088 /nfs/dbraw/zinc/79/90/88/493799088.db2.gz BQIFFFGJYBQJCT-UHFFFAOYSA-N 2 2 371.481 3.108 50 0 FGAALP O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077392444 494074416 /nfs/dbraw/zinc/07/44/16/494074416.db2.gz FIPYJSGPYLPGKP-IBGZPJMESA-N 2 2 352.482 3.239 50 0 FGAALP O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077392444 494074418 /nfs/dbraw/zinc/07/44/18/494074418.db2.gz FIPYJSGPYLPGKP-IBGZPJMESA-N 2 2 352.482 3.239 50 0 FGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072121806 494128097 /nfs/dbraw/zinc/12/80/97/494128097.db2.gz PRHSNLMUXHITGU-IBGZPJMESA-N 2 2 350.470 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000072121806 494128103 /nfs/dbraw/zinc/12/81/03/494128103.db2.gz PRHSNLMUXHITGU-IBGZPJMESA-N 2 2 350.470 3.217 50 0 FGAALP Cc1c(C)n(-c2cccc(C)n2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000013731973 494295602 /nfs/dbraw/zinc/29/56/02/494295602.db2.gz QGZONTUCKXZIMF-UHFFFAOYSA-N 2 2 361.453 3.439 50 0 FGAALP C[C@H](c1ccc(C(=O)N(Cc2[nH+]ccn2C)C2CC2)o1)[NH+]1CCCCC1 ZINC000055226930 494316861 /nfs/dbraw/zinc/31/68/61/494316861.db2.gz OTWJJTCVQJMIMU-OAHLLOKOSA-N 2 2 356.470 3.365 50 0 FGAALP CC[NH+](CC)Cc1cnc2c(C(=O)Nc3c(C)cc(C)[nH+]c3C)cnn2c1 ZINC000067935183 494699458 /nfs/dbraw/zinc/69/94/58/494699458.db2.gz RHYGLVJDEUTKQL-UHFFFAOYSA-N 2 2 366.469 3.144 50 0 FGAALP CCCC[C@@H]1C[N@@H+](CCC(=O)NCc2[nH]cc(C)[nH+]2)Cc2ccccc2O1 ZINC000299759133 497914016 /nfs/dbraw/zinc/91/40/16/497914016.db2.gz OUIVIKLFNJHHNR-GOSISDBHSA-N 2 2 370.497 3.178 50 0 FGAALP C[C@@H](c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)o1)[NH+]1CCCCC1 ZINC000299781640 497922050 /nfs/dbraw/zinc/92/20/50/497922050.db2.gz UBDAHOBOMULOEL-INIZCTEOSA-N 2 2 366.465 3.447 50 0 FGAALP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(CO)cc[nH+]4)C3)C2)c1 ZINC000426538433 500287183 /nfs/dbraw/zinc/28/71/83/500287183.db2.gz NQZMNLAFMJZLTJ-QFIPXVFZSA-N 2 2 367.493 3.075 50 0 FGAALP COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc(CO)cc[nH+]4)C3)C2)c1 ZINC000426538433 500287185 /nfs/dbraw/zinc/28/71/85/500287185.db2.gz NQZMNLAFMJZLTJ-QFIPXVFZSA-N 2 2 367.493 3.075 50 0 FGAALP CCc1oc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C[NH+](CC)CC ZINC000426615545 500294838 /nfs/dbraw/zinc/29/48/38/500294838.db2.gz ORUGQMVJQIMDRK-OAHLLOKOSA-N 2 2 358.486 3.427 50 0 FGAALP CCN(Cc1[nH+]ccn1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426615582 500294990 /nfs/dbraw/zinc/29/49/90/500294990.db2.gz SJRNKFJSTUPEAI-IBGZPJMESA-N 2 2 369.513 3.179 50 0 FGAALP CCc1ccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)nc1 ZINC000082087649 523924373 /nfs/dbraw/zinc/92/43/73/523924373.db2.gz JQCFINKTPPFYBX-UHFFFAOYSA-N 2 2 368.529 3.012 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000095497719 535936465 /nfs/dbraw/zinc/93/64/65/535936465.db2.gz DYMSRBSTIDHOEL-AWEZNQCLSA-N 2 2 367.419 3.243 50 0 FGAALP CCc1c(C)[nH+]c(C)nc1N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095528443 536070457 /nfs/dbraw/zinc/07/04/57/536070457.db2.gz CSSFCLUEZOFCNI-UHFFFAOYSA-N 3 2 370.545 3.188 50 0 FGAALP C[NH2+]CCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492166 210007317 /nfs/dbraw/zinc/00/73/17/210007317.db2.gz SEUXGFQJBFIKGH-UHFFFAOYSA-N 2 2 369.900 3.346 50 0 FGAALP CN1CCC[N@H+](C)CC12CC[NH+](Cc1c(Cl)ccc(O)c1Cl)CC2 ZINC000097529038 209184739 /nfs/dbraw/zinc/18/47/39/209184739.db2.gz MACPVKPZFUOAHM-UHFFFAOYSA-N 2 2 372.340 3.301 50 0 FGAALP CN1CCC[N@@H+](C)CC12CC[NH+](Cc1c(Cl)ccc(O)c1Cl)CC2 ZINC000097529038 209184740 /nfs/dbraw/zinc/18/47/40/209184740.db2.gz MACPVKPZFUOAHM-UHFFFAOYSA-N 2 2 372.340 3.301 50 0 FGAALP COc1ccc(-n2c(C)c(C)c3c2nc[nH+]c3NCCC[NH+](C)C)cc1 ZINC000005349096 207096239 /nfs/dbraw/zinc/09/62/39/207096239.db2.gz VUJVGJVYLACALW-UHFFFAOYSA-N 2 2 353.470 3.410 50 0 FGAALP COCC[N@@H+](Cc1c[nH]c(C)n1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011820207 207322835 /nfs/dbraw/zinc/32/28/35/207322835.db2.gz GCEXKXIQBVTOQQ-UHFFFAOYSA-N 2 2 374.504 3.218 50 0 FGAALP COCC[N@H+](Cc1c[nH]c(C)n1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011820207 207322839 /nfs/dbraw/zinc/32/28/39/207322839.db2.gz GCEXKXIQBVTOQQ-UHFFFAOYSA-N 2 2 374.504 3.218 50 0 FGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000095370155 209033845 /nfs/dbraw/zinc/03/38/45/209033845.db2.gz BSVAFNFRZLHTQI-LJQANCHMSA-N 2 2 354.498 3.179 50 0 FGAALP CCCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000095370155 209033847 /nfs/dbraw/zinc/03/38/47/209033847.db2.gz BSVAFNFRZLHTQI-LJQANCHMSA-N 2 2 354.498 3.179 50 0 FGAALP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000095444362 209051110 /nfs/dbraw/zinc/05/11/10/209051110.db2.gz NTDFOFIFNABKBU-TYPHKJRUSA-N 2 2 356.510 3.207 50 0 FGAALP Cc1ccc(-c2ccnc(N3CCC([NH2+][C@H]4CCSC4)CC3)n2)c(C)[nH+]1 ZINC000095530827 132215039 /nfs/dbraw/zinc/21/50/39/132215039.db2.gz HMWLLWLMCRNLIY-KRWDZBQOSA-N 2 2 369.538 3.219 50 0 FGAALP CCCc1nc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4OC)CC2)cc(C)[nH+]1 ZINC000102138264 132234512 /nfs/dbraw/zinc/23/45/12/132234512.db2.gz KVTONHASHHTVAY-LFUKPOHLSA-N 2 2 358.530 3.063 50 0 FGAALP CCCc1nc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4OC)CC2)cc(C)[nH+]1 ZINC000102138264 132234515 /nfs/dbraw/zinc/23/45/15/132234515.db2.gz KVTONHASHHTVAY-LFUKPOHLSA-N 2 2 358.530 3.063 50 0 FGAALP CCC[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)C1 ZINC000048308305 136123404 /nfs/dbraw/zinc/12/34/04/136123404.db2.gz OXCFBBVJIHUYGW-FQEVSTJZSA-N 2 2 367.541 3.305 50 0 FGAALP CCC[N@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)C1 ZINC000048308305 136123405 /nfs/dbraw/zinc/12/34/05/136123405.db2.gz OXCFBBVJIHUYGW-FQEVSTJZSA-N 2 2 367.541 3.305 50 0 FGAALP Cc1ccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095530829 209079108 /nfs/dbraw/zinc/07/91/08/209079108.db2.gz VTPQOZVFPDBKAI-FQEVSTJZSA-N 2 2 368.525 3.092 50 0 FGAALP C[NH+]1CCC([N@H+](CCc2ccccc2)Cc2ccccc2OCCO)CC1 ZINC000063846682 494093649 /nfs/dbraw/zinc/09/36/49/494093649.db2.gz PKTUNPJROCFWEA-UHFFFAOYSA-N 2 2 368.521 3.197 50 0 FGAALP C[NH+]1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2OCCO)CC1 ZINC000063846682 494093652 /nfs/dbraw/zinc/09/36/52/494093652.db2.gz PKTUNPJROCFWEA-UHFFFAOYSA-N 2 2 368.521 3.197 50 0 FGAALP Cc1cc(F)cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071614018 494093975 /nfs/dbraw/zinc/09/39/75/494093975.db2.gz LZVJPPKEAQQZKM-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(F)cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071614018 494093977 /nfs/dbraw/zinc/09/39/77/494093977.db2.gz LZVJPPKEAQQZKM-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP C[C@@H](c1ccco1)[N@H+](C)Cc1ccccc1OCCCN1CC[NH+](C)CC1 ZINC000063883600 494096167 /nfs/dbraw/zinc/09/61/67/494096167.db2.gz AUIQNZGNJLYSIJ-IBGZPJMESA-N 2 2 371.525 3.489 50 0 FGAALP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccccc1OCCCN1CC[NH+](C)CC1 ZINC000063883600 494096173 /nfs/dbraw/zinc/09/61/73/494096173.db2.gz AUIQNZGNJLYSIJ-IBGZPJMESA-N 2 2 371.525 3.489 50 0 FGAALP C[C@@H](c1ccco1)[N@H+](C)Cc1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000063883600 494096176 /nfs/dbraw/zinc/09/61/76/494096176.db2.gz AUIQNZGNJLYSIJ-IBGZPJMESA-N 2 2 371.525 3.489 50 0 FGAALP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000063883600 494096178 /nfs/dbraw/zinc/09/61/78/494096178.db2.gz AUIQNZGNJLYSIJ-IBGZPJMESA-N 2 2 371.525 3.489 50 0 FGAALP COc1ccc(-c2[nH+]ccn2CC[C@@H](C)[NH+]2CCN(C)CC2)c(C)c1C ZINC000072432267 494173587 /nfs/dbraw/zinc/17/35/87/494173587.db2.gz KTJIBIASTXSWDD-MRXNPFEDSA-N 2 2 356.514 3.202 50 0 FGAALP CCC[C@@H](Nc1nc(CC[NH3+])nc2sc(C)c(C)c21)c1[nH+]ccn1C ZINC000065381376 494191414 /nfs/dbraw/zinc/19/14/14/494191414.db2.gz DRHQMBYAPWGVIY-CYBMUJFWSA-N 2 2 358.515 3.496 50 0 FGAALP Cc1ccccc1[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC000065399002 494193314 /nfs/dbraw/zinc/19/33/14/494193314.db2.gz LEDDGJRMCZOQMY-QFIPXVFZSA-N 2 2 365.521 3.492 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000091808244 494687237 /nfs/dbraw/zinc/68/72/37/494687237.db2.gz ABFYDZALKGMSOI-UHFFFAOYSA-N 2 2 370.888 3.093 50 0 FGAALP Cc1cccc2[nH+]c(C3CC[NH+](CCC(=O)Nc4cccnc4)CC3)[nH]c21 ZINC000067982717 494717763 /nfs/dbraw/zinc/71/77/63/494717763.db2.gz VSEAZKBLCHBCCG-UHFFFAOYSA-N 2 2 363.465 3.475 50 0 FGAALP Cc1cccc2[nH]c(C3CC[NH+](CCC(=O)Nc4cccnc4)CC3)[nH+]c21 ZINC000067982717 494717770 /nfs/dbraw/zinc/71/77/70/494717770.db2.gz VSEAZKBLCHBCCG-UHFFFAOYSA-N 2 2 363.465 3.475 50 0 FGAALP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)C1(Cn2cc[nH+]c2)CC1 ZINC000219317174 497008423 /nfs/dbraw/zinc/00/84/23/497008423.db2.gz NZYPUBICFJEYJF-IBGZPJMESA-N 2 2 352.482 3.007 50 0 FGAALP CCOc1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000089991211 520827858 /nfs/dbraw/zinc/82/78/58/520827858.db2.gz SAAGKMFSULVDQB-MAUKXSAKSA-N 2 2 367.453 3.415 50 0 FGAALP CCOc1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000089991211 520827862 /nfs/dbraw/zinc/82/78/62/520827862.db2.gz SAAGKMFSULVDQB-MAUKXSAKSA-N 2 2 367.453 3.415 50 0 FGAALP C[C@H](C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474636 526217150 /nfs/dbraw/zinc/21/71/50/526217150.db2.gz QETQHUMIYRFDFT-HXUWFJFHSA-N 3 2 371.569 3.215 50 0 FGAALP NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000023429553 695661893 /nfs/dbraw/zinc/66/18/93/695661893.db2.gz YUILBTFWZQZJIR-MRXNPFEDSA-N 2 2 352.463 3.370 50 0 FGAALP NC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000023429553 695661895 /nfs/dbraw/zinc/66/18/95/695661895.db2.gz YUILBTFWZQZJIR-MRXNPFEDSA-N 2 2 352.463 3.370 50 0 FGAALP CN(CCCc1[nH+]ccn1C)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000252483725 209930214 /nfs/dbraw/zinc/93/02/14/209930214.db2.gz FHIUYVUTDVIMFJ-UHFFFAOYSA-N 2 2 368.525 3.113 50 0 FGAALP O=C(CCc1cc[nH+]c(N2CCCC2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000096102092 209112898 /nfs/dbraw/zinc/11/28/98/209112898.db2.gz PKOUMRYLWKTRBS-UHFFFAOYSA-N 2 2 370.541 3.091 50 0 FGAALP C[C@@H](O)C[NH+]1CCC(CN(C)c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000095997120 209095638 /nfs/dbraw/zinc/09/56/38/209095638.db2.gz JDTWNCUZFHVMNC-GOSISDBHSA-N 2 2 369.509 3.190 50 0 FGAALP c1cn(Cc2ccc(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)nc2)c[nH+]1 ZINC000077298100 132179866 /nfs/dbraw/zinc/17/98/66/132179866.db2.gz ZWIKAFAINFXBQW-JOCHJYFZSA-N 2 2 373.504 3.006 50 0 FGAALP O=C(NC[C@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000095523778 209073962 /nfs/dbraw/zinc/07/39/62/209073962.db2.gz IMYLLIMCOYXUDK-QGZVFWFLSA-N 2 2 362.477 3.247 50 0 FGAALP O=C(NC[C@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000095523778 209073965 /nfs/dbraw/zinc/07/39/65/209073965.db2.gz IMYLLIMCOYXUDK-QGZVFWFLSA-N 2 2 362.477 3.247 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000095531271 209079351 /nfs/dbraw/zinc/07/93/51/209079351.db2.gz WXXPPGQVHVOEMP-MRXNPFEDSA-N 2 2 373.476 3.385 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776735 494015726 /nfs/dbraw/zinc/01/57/26/494015726.db2.gz TXZALYAHZCLKKT-QGZVFWFLSA-N 2 2 370.522 3.019 50 0 FGAALP O=C(CC[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776735 494015730 /nfs/dbraw/zinc/01/57/30/494015730.db2.gz TXZALYAHZCLKKT-QGZVFWFLSA-N 2 2 370.522 3.019 50 0 FGAALP CC(C)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747574 494096549 /nfs/dbraw/zinc/09/65/49/494096549.db2.gz AZNLQWDBDATGSC-FQEVSTJZSA-N 2 2 372.488 3.171 50 0 FGAALP CC(C)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071747574 494096556 /nfs/dbraw/zinc/09/65/56/494096556.db2.gz AZNLQWDBDATGSC-FQEVSTJZSA-N 2 2 372.488 3.171 50 0 FGAALP c1cn(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c[nH+]1 ZINC000038719965 494117016 /nfs/dbraw/zinc/11/70/16/494117016.db2.gz LPAOYQMPBVDLCE-UHFFFAOYSA-N 2 2 358.449 3.311 50 0 FGAALP Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072428983 494173060 /nfs/dbraw/zinc/17/30/60/494173060.db2.gz FYOAKFAPKRMAHX-GOSISDBHSA-N 2 2 371.504 3.238 50 0 FGAALP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072428983 494173064 /nfs/dbraw/zinc/17/30/64/494173064.db2.gz FYOAKFAPKRMAHX-GOSISDBHSA-N 2 2 371.504 3.238 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000072435353 494174668 /nfs/dbraw/zinc/17/46/68/494174668.db2.gz SNKLGYQVOYQGIB-OEMHODTASA-N 2 2 365.525 3.304 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000072435353 494174672 /nfs/dbraw/zinc/17/46/72/494174672.db2.gz SNKLGYQVOYQGIB-OEMHODTASA-N 2 2 365.525 3.304 50 0 FGAALP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cc4cc(F)ccc4n3C)CC2)C[C@H](C)O1 ZINC000072479391 494182645 /nfs/dbraw/zinc/18/26/45/494182645.db2.gz HHAPPPBQAVYSCN-IYBDPMFKSA-N 2 2 359.489 3.391 50 0 FGAALP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cc4cc(F)ccc4n3C)CC2)C[C@H](C)O1 ZINC000072479391 494182648 /nfs/dbraw/zinc/18/26/48/494182648.db2.gz HHAPPPBQAVYSCN-IYBDPMFKSA-N 2 2 359.489 3.391 50 0 FGAALP CCN(CC)c1cc(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc[nH+]1 ZINC000065270001 494184405 /nfs/dbraw/zinc/18/44/05/494184405.db2.gz JWTYUURRMJWNMH-UHFFFAOYSA-N 2 2 372.557 3.337 50 0 FGAALP CCCc1cc(N2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000065431675 494196617 /nfs/dbraw/zinc/19/66/17/494196617.db2.gz SAHHEOAXCQGUEV-UHFFFAOYSA-N 2 2 367.497 3.018 50 0 FGAALP O=c1c(C[N@H+](CCCn2cc[nH+]c2)Cc2ccncc2)coc2ccccc12 ZINC000055073591 494297224 /nfs/dbraw/zinc/29/72/24/494297224.db2.gz QJKIXCZRCRWCTA-UHFFFAOYSA-N 2 2 374.444 3.477 50 0 FGAALP O=c1c(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccncc2)coc2ccccc12 ZINC000055073591 494297229 /nfs/dbraw/zinc/29/72/29/494297229.db2.gz QJKIXCZRCRWCTA-UHFFFAOYSA-N 2 2 374.444 3.477 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000091536447 494615003 /nfs/dbraw/zinc/61/50/03/494615003.db2.gz RZMVCDXVLFNLSD-UHFFFAOYSA-N 2 2 368.525 3.129 50 0 FGAALP O=C(NC1CC1)[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000024517510 494637685 /nfs/dbraw/zinc/63/76/85/494637685.db2.gz MAYAKHICOOQQFV-JOCHJYFZSA-N 2 2 363.505 3.261 50 0 FGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000299794405 497924619 /nfs/dbraw/zinc/92/46/19/497924619.db2.gz JMANQCYKJPMWMK-QGZVFWFLSA-N 2 2 352.442 3.305 50 0 FGAALP Cc1nc(NCC[NH+]2CCC(c3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426674190 500304864 /nfs/dbraw/zinc/30/48/64/500304864.db2.gz KNMALURIBPVMQZ-HXUWFJFHSA-N 2 2 366.509 3.002 50 0 FGAALP Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426746132 500314859 /nfs/dbraw/zinc/31/48/59/500314859.db2.gz ROEOFBZOTYSJKS-SFHVURJKSA-N 2 2 370.472 3.140 50 0 FGAALP Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426746132 500314861 /nfs/dbraw/zinc/31/48/61/500314861.db2.gz ROEOFBZOTYSJKS-SFHVURJKSA-N 2 2 370.472 3.140 50 0 FGAALP Cc1ccc(CCC(=O)N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)cc1 ZINC000091351084 524284034 /nfs/dbraw/zinc/28/40/34/524284034.db2.gz FHOGGYAVOSIDFK-UHFFFAOYSA-N 2 2 368.525 3.092 50 0 FGAALP Cc1ccccc1COc1ccccc1C[N@@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091603876 525175728 /nfs/dbraw/zinc/17/57/28/525175728.db2.gz QIMJPZHMSWRZHV-GMAHTHKFSA-N 2 2 366.505 3.120 50 0 FGAALP Cc1ccccc1COc1ccccc1C[N@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091603876 525175734 /nfs/dbraw/zinc/17/57/34/525175734.db2.gz QIMJPZHMSWRZHV-GMAHTHKFSA-N 2 2 366.505 3.120 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095371716 535437541 /nfs/dbraw/zinc/43/75/41/535437541.db2.gz JUVQJFSOPGOQRJ-UHFFFAOYSA-N 3 2 370.545 3.270 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000097609998 209189442 /nfs/dbraw/zinc/18/94/42/209189442.db2.gz OAURTQFILARCIN-UHFFFAOYSA-N 2 2 358.530 3.171 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011664071 207316430 /nfs/dbraw/zinc/31/64/30/207316430.db2.gz NPKOLHSDQGRYHQ-SFHVURJKSA-N 2 2 372.488 3.098 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011664071 207316435 /nfs/dbraw/zinc/31/64/35/207316435.db2.gz NPKOLHSDQGRYHQ-SFHVURJKSA-N 2 2 372.488 3.098 50 0 FGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000040145699 208235722 /nfs/dbraw/zinc/23/57/22/208235722.db2.gz CUAJDPCBJAWIDX-GOSISDBHSA-N 2 2 366.469 3.364 50 0 FGAALP CC(C)CN1CC2(CC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000095374036 209036950 /nfs/dbraw/zinc/03/69/50/209036950.db2.gz DUCXQDYSFQQCNH-UHFFFAOYSA-N 2 2 366.509 3.343 50 0 FGAALP Cc1cc(N2CC[NH+](Cc3ncccc3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000077505710 132188182 /nfs/dbraw/zinc/18/81/82/132188182.db2.gz QZJYSRPOKMSOTB-UHFFFAOYSA-N 2 2 359.477 3.478 50 0 FGAALP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133678688 132303740 /nfs/dbraw/zinc/30/37/40/132303740.db2.gz TWJIMWQAFVWKSR-KRWDZBQOSA-N 2 2 365.399 3.392 50 0 FGAALP Cc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095530830 209079185 /nfs/dbraw/zinc/07/91/85/209079185.db2.gz VTPQOZVFPDBKAI-HXUWFJFHSA-N 2 2 368.525 3.092 50 0 FGAALP C[N@@H+]1C[C@]2(C)C[NH+](C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O ZINC000002294970 493804650 /nfs/dbraw/zinc/80/46/50/493804650.db2.gz UKYMTLSOXQIYEO-NOTZXAQLSA-N 2 2 350.506 3.411 50 0 FGAALP C[N@H+]1C[C@]2(C)C[NH+](C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O ZINC000002294970 493804652 /nfs/dbraw/zinc/80/46/52/493804652.db2.gz UKYMTLSOXQIYEO-NOTZXAQLSA-N 2 2 350.506 3.411 50 0 FGAALP C[NH+]1C[C@]2(C)C[N@@H+](C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O ZINC000002294970 493804654 /nfs/dbraw/zinc/80/46/54/493804654.db2.gz UKYMTLSOXQIYEO-NOTZXAQLSA-N 2 2 350.506 3.411 50 0 FGAALP C[NH+]1C[C@]2(C)C[N@H+](C(c3ccccc3)c3ccccc3)C[C@](C)(C1)C2O ZINC000002294970 493804656 /nfs/dbraw/zinc/80/46/56/493804656.db2.gz UKYMTLSOXQIYEO-NOTZXAQLSA-N 2 2 350.506 3.411 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076091397 493820155 /nfs/dbraw/zinc/82/01/55/493820155.db2.gz VBECOOALJFAVJY-XUVXKRRUSA-N 2 2 357.542 3.369 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076091397 493820158 /nfs/dbraw/zinc/82/01/58/493820158.db2.gz VBECOOALJFAVJY-XUVXKRRUSA-N 2 2 357.542 3.369 50 0 FGAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077320654 494056491 /nfs/dbraw/zinc/05/64/91/494056491.db2.gz WIEWBCMEOLPUAZ-OAQYLSRUSA-N 2 2 358.530 3.093 50 0 FGAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077320654 494056495 /nfs/dbraw/zinc/05/64/95/494056495.db2.gz WIEWBCMEOLPUAZ-OAQYLSRUSA-N 2 2 358.530 3.093 50 0 FGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCCC1 ZINC000071760808 494098931 /nfs/dbraw/zinc/09/89/31/494098931.db2.gz UMVIWOIRWNXBCS-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCCC1 ZINC000071760808 494098933 /nfs/dbraw/zinc/09/89/33/494098933.db2.gz UMVIWOIRWNXBCS-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP Cc1c(F)cccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071764088 494099681 /nfs/dbraw/zinc/09/96/81/494099681.db2.gz BMSDGYRLLRCRDA-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1c(F)cccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071764088 494099687 /nfs/dbraw/zinc/09/96/87/494099687.db2.gz BMSDGYRLLRCRDA-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP COc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCC(O)CC4)CC3)o2)cc1 ZINC000072454153 494176101 /nfs/dbraw/zinc/17/61/01/494176101.db2.gz IAXFJKWYRYZYHB-UHFFFAOYSA-N 2 2 370.493 3.376 50 0 FGAALP C[C@@H](C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCOCC1 ZINC000072469000 494178498 /nfs/dbraw/zinc/17/84/98/494178498.db2.gz MDFINBBIIGVGHZ-ZDUSSCGKSA-N 2 2 358.313 3.321 50 0 FGAALP C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014974485 494331765 /nfs/dbraw/zinc/33/17/65/494331765.db2.gz YZQGHUHBJVNLRX-UHFFFAOYSA-N 2 2 372.469 3.206 50 0 FGAALP C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014974485 494331769 /nfs/dbraw/zinc/33/17/69/494331769.db2.gz YZQGHUHBJVNLRX-UHFFFAOYSA-N 2 2 372.469 3.206 50 0 FGAALP Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)o1 ZINC000091859465 494708173 /nfs/dbraw/zinc/70/81/73/494708173.db2.gz BLKMZLZLLNEMHL-UHFFFAOYSA-N 2 2 366.469 3.139 50 0 FGAALP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000215189361 496978500 /nfs/dbraw/zinc/97/85/00/496978500.db2.gz FXYKSXWISOTEJA-GOSISDBHSA-N 2 2 370.493 3.499 50 0 FGAALP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000215189361 496978506 /nfs/dbraw/zinc/97/85/06/496978506.db2.gz FXYKSXWISOTEJA-GOSISDBHSA-N 2 2 370.493 3.499 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355837 497096739 /nfs/dbraw/zinc/09/67/39/497096739.db2.gz VBECOOALJFAVJY-UFYCRDLUSA-N 2 2 357.542 3.369 50 0 FGAALP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355837 497096747 /nfs/dbraw/zinc/09/67/47/497096747.db2.gz VBECOOALJFAVJY-UFYCRDLUSA-N 2 2 357.542 3.369 50 0 FGAALP CCc1cccc(C)c1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000244899916 497374653 /nfs/dbraw/zinc/37/46/53/497374653.db2.gz ZSSRLAMUJPOWPQ-SFHVURJKSA-N 2 2 354.498 3.499 50 0 FGAALP CCc1cccc(C)c1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000244899916 497374657 /nfs/dbraw/zinc/37/46/57/497374657.db2.gz ZSSRLAMUJPOWPQ-SFHVURJKSA-N 2 2 354.498 3.499 50 0 FGAALP CCN(C)c1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c[nH+]1 ZINC000191303804 497774311 /nfs/dbraw/zinc/77/43/11/497774311.db2.gz AJGPJMAYJFTVDE-UHFFFAOYSA-N 2 2 368.525 3.354 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000426548435 500288467 /nfs/dbraw/zinc/28/84/67/500288467.db2.gz FHAQMXWPNRUAHH-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000426548435 500288470 /nfs/dbraw/zinc/28/84/70/500288470.db2.gz FHAQMXWPNRUAHH-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000426602329 500293718 /nfs/dbraw/zinc/29/37/18/500293718.db2.gz DDHBVQVEBCNQGS-JOCHJYFZSA-N 2 2 374.488 3.375 50 0 FGAALP C[C@@H](C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474635 524337604 /nfs/dbraw/zinc/33/76/04/524337604.db2.gz QETQHUMIYRFDFT-FQEVSTJZSA-N 3 2 371.569 3.215 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000091439871 527072034 /nfs/dbraw/zinc/07/20/34/527072034.db2.gz MWVREXCUCVWTKH-MRXNPFEDSA-N 2 2 370.888 3.093 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000091439871 527072041 /nfs/dbraw/zinc/07/20/41/527072041.db2.gz MWVREXCUCVWTKH-MRXNPFEDSA-N 2 2 370.888 3.093 50 0 FGAALP CCN1CC[NH+](CCOc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000216072082 568104002 /nfs/dbraw/zinc/10/40/02/568104002.db2.gz MMRRXWLWXDCJEZ-UHFFFAOYSA-N 2 2 359.558 3.325 50 0 FGAALP Cc1cc(-c2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)c[nH+]c1N ZINC000426382803 571217610 /nfs/dbraw/zinc/21/76/10/571217610.db2.gz RECJQPUTECDGJR-UHFFFAOYSA-N 2 2 364.493 3.170 50 0 FGAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC000096140480 209120988 /nfs/dbraw/zinc/12/09/88/209120988.db2.gz MTSMETNRQHYNIE-IBGZPJMESA-N 2 2 354.498 3.470 50 0 FGAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC000096140480 209120993 /nfs/dbraw/zinc/12/09/93/209120993.db2.gz MTSMETNRQHYNIE-IBGZPJMESA-N 2 2 354.498 3.470 50 0 FGAALP O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000095366462 209031444 /nfs/dbraw/zinc/03/14/44/209031444.db2.gz QHHAYUBBYBSPNH-VQTJNVASSA-N 2 2 358.530 3.166 50 0 FGAALP O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000095366462 209031446 /nfs/dbraw/zinc/03/14/46/209031446.db2.gz QHHAYUBBYBSPNH-VQTJNVASSA-N 2 2 358.530 3.166 50 0 FGAALP CCCc1nc(N2CCC(N3CC([N@@H+]4CCCC[C@@H]4C)C3)CC2)cc(C)[nH+]1 ZINC000095521172 132213959 /nfs/dbraw/zinc/21/39/59/132213959.db2.gz IIOJXNDDWDDBBT-SFHVURJKSA-N 2 2 371.573 3.265 50 0 FGAALP CCCc1nc(N2CCC(N3CC([N@H+]4CCCC[C@@H]4C)C3)CC2)cc(C)[nH+]1 ZINC000095521172 132213961 /nfs/dbraw/zinc/21/39/61/132213961.db2.gz IIOJXNDDWDDBBT-SFHVURJKSA-N 2 2 371.573 3.265 50 0 FGAALP Cc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000000809670 493773485 /nfs/dbraw/zinc/77/34/85/493773485.db2.gz MESRNXHXQYJZCL-UHFFFAOYSA-N 2 2 350.466 3.289 50 0 FGAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1ccccc1 ZINC000000845905 493776187 /nfs/dbraw/zinc/77/61/87/493776187.db2.gz OZKXFRXCVDFGHE-NRFANRHFSA-N 2 2 364.493 3.142 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)oc1C ZINC000071747353 494096976 /nfs/dbraw/zinc/09/69/76/494096976.db2.gz PVNYXRVIZVGKFQ-LJQANCHMSA-N 2 2 373.541 3.195 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)oc1C ZINC000071747353 494096977 /nfs/dbraw/zinc/09/69/77/494096977.db2.gz PVNYXRVIZVGKFQ-LJQANCHMSA-N 2 2 373.541 3.195 50 0 FGAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077515771 494102000 /nfs/dbraw/zinc/10/20/00/494102000.db2.gz DBEUDTSEWTZWDQ-QGZVFWFLSA-N 2 2 360.395 3.267 50 0 FGAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077515771 494102001 /nfs/dbraw/zinc/10/20/01/494102001.db2.gz DBEUDTSEWTZWDQ-QGZVFWFLSA-N 2 2 360.395 3.267 50 0 FGAALP Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)n1 ZINC000072145606 494133390 /nfs/dbraw/zinc/13/33/90/494133390.db2.gz VWHVROOQACVXHK-FQEVSTJZSA-N 2 2 365.481 3.222 50 0 FGAALP Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)n1 ZINC000072145606 494133393 /nfs/dbraw/zinc/13/33/93/494133393.db2.gz VWHVROOQACVXHK-FQEVSTJZSA-N 2 2 365.481 3.222 50 0 FGAALP O=C1CC[C@]2(CCC[N@H+](CCCn3cc[nH+]c3)C2)CN1Cc1ccccc1 ZINC000072475526 494180288 /nfs/dbraw/zinc/18/02/88/494180288.db2.gz LFFUGEYGSJHFEE-QFIPXVFZSA-N 2 2 366.509 3.178 50 0 FGAALP O=C1CC[C@]2(CCC[N@@H+](CCCn3cc[nH+]c3)C2)CN1Cc1ccccc1 ZINC000072475526 494180294 /nfs/dbraw/zinc/18/02/94/494180294.db2.gz LFFUGEYGSJHFEE-QFIPXVFZSA-N 2 2 366.509 3.178 50 0 FGAALP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000015066283 494336498 /nfs/dbraw/zinc/33/64/98/494336498.db2.gz FVOFEORSSMMYJF-QGZVFWFLSA-N 2 2 374.525 3.473 50 0 FGAALP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000015066283 494336501 /nfs/dbraw/zinc/33/65/01/494336501.db2.gz FVOFEORSSMMYJF-QGZVFWFLSA-N 2 2 374.525 3.473 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330669 494724179 /nfs/dbraw/zinc/72/41/79/494724179.db2.gz AVCOYPWZCJUGSM-KRWDZBQOSA-N 2 2 356.495 3.079 50 0 FGAALP C[NH+](C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCC1)c1ccc(F)cc1 ZINC000215017258 496977338 /nfs/dbraw/zinc/97/73/38/496977338.db2.gz JPSIAKCEPAQAAT-IBGZPJMESA-N 2 2 361.505 3.343 50 0 FGAALP c1cn(CCOc2ccc(CN3CCCC[C@@H]3C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000215068816 496977803 /nfs/dbraw/zinc/97/78/03/496977803.db2.gz BMEGZLJRSQAOST-OAQYLSRUSA-N 2 2 368.525 3.412 50 0 FGAALP CC(C)C[C@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000225421878 497062599 /nfs/dbraw/zinc/06/25/99/497062599.db2.gz YMPGWGWJJNLTRF-AEFFLSMTSA-N 2 2 363.502 3.474 50 0 FGAALP CC(C)C[C@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)OC(C)(C)C ZINC000225421878 497062601 /nfs/dbraw/zinc/06/26/01/497062601.db2.gz YMPGWGWJJNLTRF-AEFFLSMTSA-N 2 2 363.502 3.474 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000426503636 500281161 /nfs/dbraw/zinc/28/11/61/500281161.db2.gz YEGAGYXCJQXMSA-KRWDZBQOSA-N 2 2 373.932 3.444 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000426503636 500281162 /nfs/dbraw/zinc/28/11/62/500281162.db2.gz YEGAGYXCJQXMSA-KRWDZBQOSA-N 2 2 373.932 3.444 50 0 FGAALP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCc1c(C)noc1C ZINC000166408396 522457855 /nfs/dbraw/zinc/45/78/55/522457855.db2.gz ZKZPQIPUMKSADJ-KRWDZBQOSA-N 2 2 359.470 3.063 50 0 FGAALP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCc1c(C)noc1C ZINC000166408396 522457870 /nfs/dbraw/zinc/45/78/70/522457870.db2.gz ZKZPQIPUMKSADJ-KRWDZBQOSA-N 2 2 359.470 3.063 50 0 FGAALP Cc1[nH+]ccn1[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000020878042 527451539 /nfs/dbraw/zinc/45/15/39/527451539.db2.gz NTLQKLPXIQSENS-MRXNPFEDSA-N 2 2 363.465 3.100 50 0 FGAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC000097696215 209193166 /nfs/dbraw/zinc/19/31/66/209193166.db2.gz URNFRSMPZVUMKD-UHFFFAOYSA-N 2 2 369.534 3.201 50 0 FGAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC000097696215 209193165 /nfs/dbraw/zinc/19/31/65/209193165.db2.gz URNFRSMPZVUMKD-UHFFFAOYSA-N 2 2 369.534 3.201 50 0 FGAALP O=C(CCc1cn2ccccc2[nH+]1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000097506077 209184086 /nfs/dbraw/zinc/18/40/86/209184086.db2.gz BSBPOYMHJGSNJZ-UHFFFAOYSA-N 2 2 368.506 3.109 50 0 FGAALP CCCn1nc(CC2CC[NH+](C)CC2)nc1CCc1cn2ccccc2[nH+]1 ZINC000096141346 209120263 /nfs/dbraw/zinc/12/02/63/209120263.db2.gz UNGOGTBFAUJOQE-UHFFFAOYSA-N 2 2 366.513 3.005 50 0 FGAALP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cn1 ZINC000011774735 207322631 /nfs/dbraw/zinc/32/26/31/207322631.db2.gz FJEQPRKXKOSDPC-LJQANCHMSA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cn1 ZINC000011774735 207322634 /nfs/dbraw/zinc/32/26/34/207322634.db2.gz FJEQPRKXKOSDPC-LJQANCHMSA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cn1 ZINC000011774735 207322638 /nfs/dbraw/zinc/32/26/38/207322638.db2.gz FJEQPRKXKOSDPC-LJQANCHMSA-N 2 2 370.541 3.298 50 0 FGAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cn1 ZINC000011774735 207322642 /nfs/dbraw/zinc/32/26/42/207322642.db2.gz FJEQPRKXKOSDPC-LJQANCHMSA-N 2 2 370.541 3.298 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012302657 207355139 /nfs/dbraw/zinc/35/51/39/207355139.db2.gz AMTKSEZSROYCJC-QFIPXVFZSA-N 2 2 364.493 3.415 50 0 FGAALP O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012302657 207355143 /nfs/dbraw/zinc/35/51/43/207355143.db2.gz AMTKSEZSROYCJC-QFIPXVFZSA-N 2 2 364.493 3.415 50 0 FGAALP COc1ccc([C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000032735863 208037483 /nfs/dbraw/zinc/03/74/83/208037483.db2.gz HCMCSQYFVLTMSQ-HXUWFJFHSA-N 2 2 368.477 3.393 50 0 FGAALP CCCCSc1nc(N2CCC[N@H+](Cc3ccncc3)CC2)cc(N)[nH+]1 ZINC000095354596 209024966 /nfs/dbraw/zinc/02/49/66/209024966.db2.gz GEVQQFACYSEEJL-UHFFFAOYSA-N 2 2 372.542 3.058 50 0 FGAALP CCCCSc1nc(N2CCC[N@@H+](Cc3ccncc3)CC2)cc(N)[nH+]1 ZINC000095354596 209024970 /nfs/dbraw/zinc/02/49/70/209024970.db2.gz GEVQQFACYSEEJL-UHFFFAOYSA-N 2 2 372.542 3.058 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000095367383 209031911 /nfs/dbraw/zinc/03/19/11/209031911.db2.gz YSMHYTQPVHNWSX-MRXNPFEDSA-N 2 2 373.476 3.385 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000095368038 209033938 /nfs/dbraw/zinc/03/39/38/209033938.db2.gz OXABPSPEKXWYEF-NRFANRHFSA-N 2 2 368.525 3.432 50 0 FGAALP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000095425786 209049158 /nfs/dbraw/zinc/04/91/58/209049158.db2.gz JNHCCRICMGVJRY-IRXDYDNUSA-N 2 2 371.294 3.056 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000095528888 209077311 /nfs/dbraw/zinc/07/73/11/209077311.db2.gz ZPPXTHHTTDOLOH-QGZVFWFLSA-N 2 2 374.554 3.235 50 0 FGAALP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C)OCO2 ZINC000077302320 494051929 /nfs/dbraw/zinc/05/19/29/494051929.db2.gz JZGKYSVZCGDIKR-MRXNPFEDSA-N 2 2 357.454 3.145 50 0 FGAALP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CCc1[nH+]ccn1C)OCO2 ZINC000077302320 494051933 /nfs/dbraw/zinc/05/19/33/494051933.db2.gz JZGKYSVZCGDIKR-MRXNPFEDSA-N 2 2 357.454 3.145 50 0 FGAALP C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072143605 494133699 /nfs/dbraw/zinc/13/36/99/494133699.db2.gz AXXLUGGHQNRVDX-LJQANCHMSA-N 2 2 368.525 3.411 50 0 FGAALP C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000072143605 494133704 /nfs/dbraw/zinc/13/37/04/494133704.db2.gz AXXLUGGHQNRVDX-LJQANCHMSA-N 2 2 368.525 3.411 50 0 FGAALP OCCOc1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072150336 494136001 /nfs/dbraw/zinc/13/60/01/494136001.db2.gz OWQSFKVZXKNCSQ-KRWDZBQOSA-N 2 2 365.477 3.389 50 0 FGAALP OCCOc1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072150336 494136002 /nfs/dbraw/zinc/13/60/02/494136002.db2.gz OWQSFKVZXKNCSQ-KRWDZBQOSA-N 2 2 365.477 3.389 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000072479959 494182745 /nfs/dbraw/zinc/18/27/45/494182745.db2.gz AOPUNPSANRFRQM-CQSZACIVSA-N 2 2 365.884 3.049 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000072479959 494182748 /nfs/dbraw/zinc/18/27/48/494182748.db2.gz AOPUNPSANRFRQM-CQSZACIVSA-N 2 2 365.884 3.049 50 0 FGAALP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000072481297 494182891 /nfs/dbraw/zinc/18/28/91/494182891.db2.gz AZTAPSWTDVEBCF-MSOLQXFVSA-N 2 2 354.498 3.304 50 0 FGAALP CCN(CC)c1cc(CCC(=O)NCC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000065270061 494184612 /nfs/dbraw/zinc/18/46/12/494184612.db2.gz PBKJUTNRWLCNIT-UHFFFAOYSA-N 2 2 360.546 3.241 50 0 FGAALP CCN(CC)c1cc(CCC(=O)NCC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000065270061 494184616 /nfs/dbraw/zinc/18/46/16/494184616.db2.gz PBKJUTNRWLCNIT-UHFFFAOYSA-N 2 2 360.546 3.241 50 0 FGAALP Cc1[nH+]cc(C[NH2+][C@H](C)c2cnc(N3CCCCCCC3)nc2C)n1C ZINC000015061577 494335392 /nfs/dbraw/zinc/33/53/92/494335392.db2.gz NAIYPFAXFGQITQ-OAHLLOKOSA-N 2 2 356.518 3.448 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677109 494880342 /nfs/dbraw/zinc/88/03/42/494880342.db2.gz MBVIPVVADWMMJG-INIZCTEOSA-N 2 2 356.495 3.079 50 0 FGAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC2=C[NH2+][C@@H]3C=CC=C[C@@H]23)cc1 ZINC000101244796 495068046 /nfs/dbraw/zinc/06/80/46/495068046.db2.gz OQLLVXAXRSWYFQ-PKOBYXMFSA-N 2 2 374.423 3.355 50 0 FGAALP Cc1c[nH]c([C@@H](C)NC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)[nH+]1 ZINC000534659702 504207682 /nfs/dbraw/zinc/20/76/82/504207682.db2.gz RQDVJXKLXNKGAG-QGZVFWFLSA-N 2 2 369.513 3.128 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)s1 ZINC000082087929 524448274 /nfs/dbraw/zinc/44/82/74/524448274.db2.gz AIZJGFDGCWWUIC-HXUWFJFHSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)s1 ZINC000082087929 524448284 /nfs/dbraw/zinc/44/82/84/524448284.db2.gz AIZJGFDGCWWUIC-HXUWFJFHSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)s1 ZINC000082087929 524448286 /nfs/dbraw/zinc/44/82/86/524448286.db2.gz AIZJGFDGCWWUIC-HXUWFJFHSA-N 2 2 372.538 3.227 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)s1 ZINC000082087929 524448288 /nfs/dbraw/zinc/44/82/88/524448288.db2.gz AIZJGFDGCWWUIC-HXUWFJFHSA-N 2 2 372.538 3.227 50 0 FGAALP c1csc([C@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000216066420 568103451 /nfs/dbraw/zinc/10/34/51/568103451.db2.gz HPRIWSVUCRMIOT-LJQANCHMSA-N 2 2 373.522 3.191 50 0 FGAALP c1csc([C@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000216066420 568103452 /nfs/dbraw/zinc/10/34/52/568103452.db2.gz HPRIWSVUCRMIOT-LJQANCHMSA-N 2 2 373.522 3.191 50 0 FGAALP CN(C)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000426442544 571225678 /nfs/dbraw/zinc/22/56/78/571225678.db2.gz MLFZMYZLGKTTJL-UHFFFAOYSA-N 2 2 352.482 3.030 50 0 FGAALP O=c1occ(C[N@H+]2CCc3ccccc3C2)c(O)c1C[NH+]1CCCCCC1 ZINC000101373275 209224969 /nfs/dbraw/zinc/22/49/69/209224969.db2.gz XFLTWVPCRZWDHO-UHFFFAOYSA-N 2 2 368.477 3.280 50 0 FGAALP O=c1occ(C[N@@H+]2CCc3ccccc3C2)c(O)c1C[NH+]1CCCCCC1 ZINC000101373275 209224968 /nfs/dbraw/zinc/22/49/68/209224968.db2.gz XFLTWVPCRZWDHO-UHFFFAOYSA-N 2 2 368.477 3.280 50 0 FGAALP C[N@@H+]1CCC[C@H]1CC(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000097394349 209179417 /nfs/dbraw/zinc/17/94/17/209179417.db2.gz GXABUGMHVHDEAF-JCYILVPMSA-N 2 2 354.498 3.437 50 0 FGAALP C[N@H+]1CCC[C@H]1CC(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000097394349 209179418 /nfs/dbraw/zinc/17/94/18/209179418.db2.gz GXABUGMHVHDEAF-JCYILVPMSA-N 2 2 354.498 3.437 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011664070 207316979 /nfs/dbraw/zinc/31/69/79/207316979.db2.gz NPKOLHSDQGRYHQ-GOSISDBHSA-N 2 2 372.488 3.098 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011664070 207316982 /nfs/dbraw/zinc/31/69/82/207316982.db2.gz NPKOLHSDQGRYHQ-GOSISDBHSA-N 2 2 372.488 3.098 50 0 FGAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000040145700 208236750 /nfs/dbraw/zinc/23/67/50/208236750.db2.gz CUAJDPCBJAWIDX-SFHVURJKSA-N 2 2 366.469 3.364 50 0 FGAALP CCc1ccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)cc1 ZINC000091933452 209005688 /nfs/dbraw/zinc/00/56/88/209005688.db2.gz DGLCNCTYXAJHEV-UHFFFAOYSA-N 2 2 364.497 3.002 50 0 FGAALP CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC([C@H](C)[NH+](C)C)CC1 ZINC000092021282 209011063 /nfs/dbraw/zinc/01/10/63/209011063.db2.gz OMEBMRKBICLXGO-INIZCTEOSA-N 2 2 356.514 3.178 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095374137 209037601 /nfs/dbraw/zinc/03/76/01/209037601.db2.gz MTDBYQLVIOQNDA-NRFANRHFSA-N 2 2 368.525 3.432 50 0 FGAALP CC(C)n1cccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095380174 209040454 /nfs/dbraw/zinc/04/04/54/209040454.db2.gz VAQDGCWVBBINAG-SFHVURJKSA-N 2 2 371.529 3.237 50 0 FGAALP Cc1[nH]c(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH+]1 ZINC000095387080 209043361 /nfs/dbraw/zinc/04/33/61/209043361.db2.gz FAULVIADGUPBMZ-PWIZWCRZSA-N 2 2 358.436 3.059 50 0 FGAALP c1sc(C[NH+]2CCN(c3ccccn3)CC2)cc1C[NH+]1CCCCC1 ZINC000220716833 132275803 /nfs/dbraw/zinc/27/58/03/132275803.db2.gz MRMZUUNBHXDLLH-UHFFFAOYSA-N 2 2 356.539 3.451 50 0 FGAALP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133678877 132303657 /nfs/dbraw/zinc/30/36/57/132303657.db2.gz TWJIMWQAFVWKSR-QGZVFWFLSA-N 2 2 365.399 3.392 50 0 FGAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000095521579 209073797 /nfs/dbraw/zinc/07/37/97/209073797.db2.gz ANSWEWHTMDZNTK-UHFFFAOYSA-N 2 2 372.488 3.441 50 0 FGAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000095521579 209073802 /nfs/dbraw/zinc/07/38/02/209073802.db2.gz ANSWEWHTMDZNTK-UHFFFAOYSA-N 2 2 372.488 3.441 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000077320944 494056478 /nfs/dbraw/zinc/05/64/78/494056478.db2.gz OCCGMCROXVJBQC-DHZHZOJOSA-N 2 2 353.514 3.252 50 0 FGAALP C[C@H](C1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCN(C)CC1 ZINC000077455645 494087011 /nfs/dbraw/zinc/08/70/11/494087011.db2.gz PLYAUKKIFQFTKH-CQSZACIVSA-N 2 2 371.903 3.466 50 0 FGAALP CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753548 494098195 /nfs/dbraw/zinc/09/81/95/494098195.db2.gz KJZJDCDIOSCOAQ-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753548 494098200 /nfs/dbraw/zinc/09/82/00/494098200.db2.gz KJZJDCDIOSCOAQ-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP C[N@H+](Cc1cc2n(n1)CCC[NH+](C[C@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000072146595 494134242 /nfs/dbraw/zinc/13/42/42/494134242.db2.gz ITLZXHMBYZRKNW-IBGZPJMESA-N 2 2 365.525 3.472 50 0 FGAALP C[N@@H+](Cc1cc2n(n1)CCC[NH+](C[C@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000072146595 494134245 /nfs/dbraw/zinc/13/42/45/494134245.db2.gz ITLZXHMBYZRKNW-IBGZPJMESA-N 2 2 365.525 3.472 50 0 FGAALP C[NH+](Cc1cc2n(n1)CCC[N@H+](C[C@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000072146595 494134246 /nfs/dbraw/zinc/13/42/46/494134246.db2.gz ITLZXHMBYZRKNW-IBGZPJMESA-N 2 2 365.525 3.472 50 0 FGAALP C[NH+](Cc1cc2n(n1)CCC[N@@H+](C[C@H]1CC=CCC1)C2)Cc1cccnc1 ZINC000072146595 494134248 /nfs/dbraw/zinc/13/42/48/494134248.db2.gz ITLZXHMBYZRKNW-IBGZPJMESA-N 2 2 365.525 3.472 50 0 FGAALP O=c1cc(C(F)F)nc(-c2cccc(C[N@@H+]3CC[C@@H](n4cc[nH+]c4)C3)c2)[nH]1 ZINC000023337404 494560805 /nfs/dbraw/zinc/56/08/05/494560805.db2.gz KZNPBILYXBJOPF-OAHLLOKOSA-N 2 2 371.391 3.430 50 0 FGAALP O=c1cc(C(F)F)nc(-c2cccc(C[N@H+]3CC[C@@H](n4cc[nH+]c4)C3)c2)[nH]1 ZINC000023337404 494560808 /nfs/dbraw/zinc/56/08/08/494560808.db2.gz KZNPBILYXBJOPF-OAHLLOKOSA-N 2 2 371.391 3.430 50 0 FGAALP COc1ccc(OC)c(-c2nc(C[N@H+](C)C[C@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067834422 494662049 /nfs/dbraw/zinc/66/20/49/494662049.db2.gz ZIFGCUTWZXMPTP-HNNXBMFYSA-N 2 2 359.470 3.099 50 0 FGAALP COc1ccc(OC)c(-c2nc(C[N@@H+](C)C[C@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067834422 494662058 /nfs/dbraw/zinc/66/20/58/494662058.db2.gz ZIFGCUTWZXMPTP-HNNXBMFYSA-N 2 2 359.470 3.099 50 0 FGAALP COc1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc2c1OCCO2 ZINC000025362489 494729098 /nfs/dbraw/zinc/72/90/98/494729098.db2.gz IXHKGDLQQXBRLV-IBGZPJMESA-N 2 2 368.477 3.393 50 0 FGAALP Fc1ccc(-n2cccn2)c(C[NH+]2CCC([NH+]3CCSCC3)CC2)c1 ZINC000215153875 496978896 /nfs/dbraw/zinc/97/88/96/496978896.db2.gz MLGDDVGHXQHNCJ-UHFFFAOYSA-N 2 2 360.502 3.025 50 0 FGAALP Nc1nc(NCc2ccc(C(F)(F)F)cc2F)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222773583 497027101 /nfs/dbraw/zinc/02/71/01/497027101.db2.gz SMSGSWXKDJJTKO-UHFFFAOYSA-N 2 2 355.339 3.034 50 0 FGAALP Cc1ccccc1[C@H](CNC(=O)c1cccc(-c2[nH+]ccn2C)c1)[NH+](C)C ZINC000426712304 500309972 /nfs/dbraw/zinc/30/99/72/500309972.db2.gz ZHQGBFAQUPOPDG-FQEVSTJZSA-N 2 2 362.477 3.428 50 0 FGAALP CCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(C)[nH+]1 ZINC000091637104 523795818 /nfs/dbraw/zinc/79/58/18/523795818.db2.gz JZLDWRJCRRUXBP-KRWDZBQOSA-N 2 2 362.481 3.371 50 0 FGAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000097370418 209180327 /nfs/dbraw/zinc/18/03/27/209180327.db2.gz IQOGRYNUUJIHPC-UHFFFAOYSA-N 2 2 372.469 3.173 50 0 FGAALP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2nc(COc3ccccc3)no2)c[nH+]1 ZINC000012298342 207357319 /nfs/dbraw/zinc/35/73/19/207357319.db2.gz MOJYXLKNVAJLDF-KRWDZBQOSA-N 2 2 367.453 3.290 50 0 FGAALP c1cn(CC[C@@H]2CCCC[N@H+]2Cc2nc(COc3ccccc3)no2)c[nH+]1 ZINC000012298342 207357323 /nfs/dbraw/zinc/35/73/23/207357323.db2.gz MOJYXLKNVAJLDF-KRWDZBQOSA-N 2 2 367.453 3.290 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095372733 209034540 /nfs/dbraw/zinc/03/45/40/209034540.db2.gz DZZQCYWTFKOBJN-FQEVSTJZSA-N 2 2 372.488 3.262 50 0 FGAALP C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095456060 209051933 /nfs/dbraw/zinc/05/19/33/209051933.db2.gz XWKKANINOCZNEE-HNNXBMFYSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095456060 209051938 /nfs/dbraw/zinc/05/19/38/209051938.db2.gz XWKKANINOCZNEE-HNNXBMFYSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000095456060 209051940 /nfs/dbraw/zinc/05/19/40/209051940.db2.gz XWKKANINOCZNEE-HNNXBMFYSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000095456060 209051945 /nfs/dbraw/zinc/05/19/45/209051945.db2.gz XWKKANINOCZNEE-HNNXBMFYSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095456059 209052675 /nfs/dbraw/zinc/05/26/75/209052675.db2.gz XWKKANINOCZNEE-OAHLLOKOSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095456059 209052678 /nfs/dbraw/zinc/05/26/78/209052678.db2.gz XWKKANINOCZNEE-OAHLLOKOSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000095456059 209052681 /nfs/dbraw/zinc/05/26/81/209052681.db2.gz XWKKANINOCZNEE-OAHLLOKOSA-N 2 2 355.448 3.306 50 0 FGAALP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000095456059 209052682 /nfs/dbraw/zinc/05/26/82/209052682.db2.gz XWKKANINOCZNEE-OAHLLOKOSA-N 2 2 355.448 3.306 50 0 FGAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)c[nH+]1 ZINC000095387959 209046610 /nfs/dbraw/zinc/04/66/10/209046610.db2.gz GJPMMKCECUFBFE-PKOBYXMFSA-N 2 2 371.529 3.454 50 0 FGAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2c(C)noc2C)C3)c[nH+]1 ZINC000095387959 209046612 /nfs/dbraw/zinc/04/66/12/209046612.db2.gz GJPMMKCECUFBFE-PKOBYXMFSA-N 2 2 371.529 3.454 50 0 FGAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)[nH+]1 ZINC000095387959 209046615 /nfs/dbraw/zinc/04/66/15/209046615.db2.gz GJPMMKCECUFBFE-PKOBYXMFSA-N 2 2 371.529 3.454 50 0 FGAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2c(C)noc2C)C3)[nH+]1 ZINC000095387959 209046618 /nfs/dbraw/zinc/04/66/18/209046618.db2.gz GJPMMKCECUFBFE-PKOBYXMFSA-N 2 2 371.529 3.454 50 0 FGAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000095512428 209069706 /nfs/dbraw/zinc/06/97/06/209069706.db2.gz WCRDZPUTMOJFPC-FQEVSTJZSA-N 2 2 368.525 3.343 50 0 FGAALP Cc1cc(N2CCC([NH2+]CC3CCOCC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095524480 132214560 /nfs/dbraw/zinc/21/45/60/132214560.db2.gz MQIDKIOFCSVEJL-UHFFFAOYSA-N 2 2 366.509 3.437 50 0 FGAALP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000048384736 493824259 /nfs/dbraw/zinc/82/42/59/493824259.db2.gz AWTOCUNKFGHYCV-UHFFFAOYSA-N 2 2 360.461 3.139 50 0 FGAALP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc2c1OCO2 ZINC000058165461 493828973 /nfs/dbraw/zinc/82/89/73/493828973.db2.gz SLYVEBNRXDMETF-UHFFFAOYSA-N 2 2 354.450 3.178 50 0 FGAALP Cc1[nH]c(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c[nH+]1 ZINC000071715069 494095453 /nfs/dbraw/zinc/09/54/53/494095453.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 2 2 358.461 3.116 50 0 FGAALP Cc1[nH]c(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c[nH+]1 ZINC000071715069 494095456 /nfs/dbraw/zinc/09/54/56/494095456.db2.gz VLRODXWSAXVMIW-IBGZPJMESA-N 2 2 358.461 3.116 50 0 FGAALP Cc1nc([C@H]2CCC[N@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125590 494129909 /nfs/dbraw/zinc/12/99/09/494129909.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 2 2 355.486 3.326 50 0 FGAALP Cc1nc([C@H]2CCC[N@@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125590 494129911 /nfs/dbraw/zinc/12/99/11/494129911.db2.gz LFXMQRVETMHKKC-INIZCTEOSA-N 2 2 355.486 3.326 50 0 FGAALP CCCCc1nc(Cl)c(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)[nH]1 ZINC000072439503 494174494 /nfs/dbraw/zinc/17/44/94/494174494.db2.gz HQDOWUUMKINNQR-HNNXBMFYSA-N 2 2 368.953 3.338 50 0 FGAALP COCCC[N@H+](Cc1ccc2cccc(OC)c2n1)C1CC[NH+](C)CC1 ZINC000072434679 494175407 /nfs/dbraw/zinc/17/54/07/494175407.db2.gz XVIKIBARIVLWKF-UHFFFAOYSA-N 2 2 357.498 3.176 50 0 FGAALP COCCC[N@@H+](Cc1ccc2cccc(OC)c2n1)C1CC[NH+](C)CC1 ZINC000072434679 494175412 /nfs/dbraw/zinc/17/54/12/494175412.db2.gz XVIKIBARIVLWKF-UHFFFAOYSA-N 2 2 357.498 3.176 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000072480278 494182934 /nfs/dbraw/zinc/18/29/34/494182934.db2.gz WHOMCYRDOAWGGZ-QGZVFWFLSA-N 2 2 353.470 3.003 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000072480278 494182937 /nfs/dbraw/zinc/18/29/37/494182937.db2.gz WHOMCYRDOAWGGZ-QGZVFWFLSA-N 2 2 353.470 3.003 50 0 FGAALP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000065405462 494193379 /nfs/dbraw/zinc/19/33/79/494193379.db2.gz ALJMNCRNEKRPTP-UHFFFAOYSA-N 2 2 372.900 3.236 50 0 FGAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193728 /nfs/dbraw/zinc/19/37/28/494193728.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193731 /nfs/dbraw/zinc/19/37/31/494193731.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193733 /nfs/dbraw/zinc/19/37/33/494193733.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838813 494193735 /nfs/dbraw/zinc/19/37/35/494193735.db2.gz WXOPLZPIBVMZNR-FQEVSTJZSA-N 2 2 370.541 3.124 50 0 FGAALP CCCOc1c(C[NH2+]CCC[NH+](C)C)cc(Br)cc1OC ZINC000020968370 494485153 /nfs/dbraw/zinc/48/51/53/494485153.db2.gz SASXWPKTSPICOK-UHFFFAOYSA-N 2 2 359.308 3.288 50 0 FGAALP Cc1ccc(-c2nc(CC3CC[NH+](C)CC3)nn2CCc2c[nH]c[nH+]2)s1 ZINC000091325748 494582966 /nfs/dbraw/zinc/58/29/66/494582966.db2.gz BGTIZZMVIFGSDS-UHFFFAOYSA-N 2 2 370.526 3.165 50 0 FGAALP Cc1ccc(-c2nc(CC3CC[NH+](C)CC3)nn2CCc2c[nH+]c[nH]2)s1 ZINC000091325748 494582972 /nfs/dbraw/zinc/58/29/72/494582972.db2.gz BGTIZZMVIFGSDS-UHFFFAOYSA-N 2 2 370.526 3.165 50 0 FGAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC2=C[NH2+][C@@H]3C=CC=C[C@H]23)cc1 ZINC000101244792 495067993 /nfs/dbraw/zinc/06/79/93/495067993.db2.gz OQLLVXAXRSWYFQ-IEBWSBKVSA-N 2 2 374.423 3.355 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816245 495746885 /nfs/dbraw/zinc/74/68/85/495746885.db2.gz QVLMXTUOYGMXDJ-PMACEKPBSA-N 2 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816245 495746891 /nfs/dbraw/zinc/74/68/91/495746891.db2.gz QVLMXTUOYGMXDJ-PMACEKPBSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816245 495746893 /nfs/dbraw/zinc/74/68/93/495746893.db2.gz QVLMXTUOYGMXDJ-PMACEKPBSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816245 495746900 /nfs/dbraw/zinc/74/69/00/495746900.db2.gz QVLMXTUOYGMXDJ-PMACEKPBSA-N 3 2 373.545 3.191 50 0 FGAALP CCCC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000194960710 496774543 /nfs/dbraw/zinc/77/45/43/496774543.db2.gz LYLDBXMPQDSCKQ-UHFFFAOYSA-N 2 2 362.518 3.113 50 0 FGAALP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)c1cncc(F)c1 ZINC000284401161 499101746 /nfs/dbraw/zinc/10/17/46/499101746.db2.gz BEAWUVXQUQGIOY-QEEYODRMSA-N 2 2 357.477 3.221 50 0 FGAALP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)c1cncc(F)c1 ZINC000284401161 499101750 /nfs/dbraw/zinc/10/17/50/499101750.db2.gz BEAWUVXQUQGIOY-QEEYODRMSA-N 2 2 357.477 3.221 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091707947 522001800 /nfs/dbraw/zinc/00/18/00/522001800.db2.gz AHYKDYJVMUEJHQ-LJQANCHMSA-N 2 2 362.481 3.371 50 0 FGAALP Cc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccon2)cc1CN1CC[NH+](C)CC1 ZINC000216470824 524259812 /nfs/dbraw/zinc/25/98/12/524259812.db2.gz FMGIKIJPPSFTDF-SFHVURJKSA-N 2 2 356.514 3.232 50 0 FGAALP Cc1cc(C)c(C[N@H+](C)[C@@H](C)c2ccon2)cc1CN1CC[NH+](C)CC1 ZINC000216470824 524259816 /nfs/dbraw/zinc/25/98/16/524259816.db2.gz FMGIKIJPPSFTDF-SFHVURJKSA-N 2 2 356.514 3.232 50 0 FGAALP Cc1ccccc1NC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000091486469 525246796 /nfs/dbraw/zinc/24/67/96/525246796.db2.gz LOYKTHOXWQXHLU-UHFFFAOYSA-N 2 2 355.486 3.165 50 0 FGAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000020536212 526826574 /nfs/dbraw/zinc/82/65/74/526826574.db2.gz MVUZQLYQFMNJET-CQSZACIVSA-N 2 2 356.451 3.331 50 0 FGAALP O=C(NCc1[nH]cc[nH+]1)c1ccc([C@H]2CCC[N@H+]2Cc2ccco2)s1 ZINC000020536212 526826579 /nfs/dbraw/zinc/82/65/79/526826579.db2.gz MVUZQLYQFMNJET-CQSZACIVSA-N 2 2 356.451 3.331 50 0 FGAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000221826647 571175798 /nfs/dbraw/zinc/17/57/98/571175798.db2.gz LTTRLQJPKZZQEW-LAUBAEHRSA-N 2 2 367.493 3.309 50 0 FGAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000221826647 571175800 /nfs/dbraw/zinc/17/58/00/571175800.db2.gz LTTRLQJPKZZQEW-LAUBAEHRSA-N 2 2 367.493 3.309 50 0 FGAALP COc1cc[nH+]c(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1OC ZINC000426387809 571218540 /nfs/dbraw/zinc/21/85/40/571218540.db2.gz RWZZYSMFRQKJQX-NRFANRHFSA-N 2 2 359.514 3.187 50 0 FGAALP COc1cc[nH+]c(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1OC ZINC000426387809 571218543 /nfs/dbraw/zinc/21/85/43/571218543.db2.gz RWZZYSMFRQKJQX-NRFANRHFSA-N 2 2 359.514 3.187 50 0 FGAALP COc1cc2c(cc1C[NH2+]C1CC[NH+](Cc3cccs3)CC1)OCO2 ZINC000952975441 762537897 /nfs/dbraw/zinc/53/78/97/762537897.db2.gz YLTNHURRYSHVOA-UHFFFAOYSA-N 2 2 360.479 3.240 50 0 FGAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC2=C[NH2+][C@H]3C=CC=C[C@@H]23)cc1 ZINC000101244794 210243917 /nfs/dbraw/zinc/24/39/17/210243917.db2.gz OQLLVXAXRSWYFQ-HKUYNNGSSA-N 2 2 374.423 3.355 50 0 FGAALP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCOCC2)Cc2ccccc2C1 ZINC000023360761 210159454 /nfs/dbraw/zinc/15/94/54/210159454.db2.gz XBBWUKIYRLBKHE-UHFFFAOYSA-N 2 2 350.506 3.425 50 0 FGAALP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCOCC2)Cc2ccccc2C1 ZINC000023360761 210159459 /nfs/dbraw/zinc/15/94/59/210159459.db2.gz XBBWUKIYRLBKHE-UHFFFAOYSA-N 2 2 350.506 3.425 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000299776603 210020741 /nfs/dbraw/zinc/02/07/41/210020741.db2.gz DNKBBZYTBKBCJY-KRWDZBQOSA-N 2 2 350.426 3.187 50 0 FGAALP O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023158472 211377103 /nfs/dbraw/zinc/37/71/03/211377103.db2.gz LQVFZWYDYZLBCQ-KRWDZBQOSA-N 2 2 371.506 3.257 50 0 FGAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000023338431 211383945 /nfs/dbraw/zinc/38/39/45/211383945.db2.gz AXOXWTROZCJNMV-BTZGUFSASA-N 2 2 367.537 3.155 50 0 FGAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000023338431 211383948 /nfs/dbraw/zinc/38/39/48/211383948.db2.gz AXOXWTROZCJNMV-BTZGUFSASA-N 2 2 367.537 3.155 50 0 FGAALP CN1CC[NH+](CCn2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)CC1 ZINC000019771561 211255350 /nfs/dbraw/zinc/25/53/50/211255350.db2.gz PAGOAMDCIBIXCH-UHFFFAOYSA-N 2 2 359.477 3.203 50 0 FGAALP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)n1C ZINC000015061578 211117275 /nfs/dbraw/zinc/11/72/75/211117275.db2.gz NAIYPFAXFGQITQ-HNNXBMFYSA-N 2 2 356.518 3.448 50 0 FGAALP CC[NH+]1CCC([NH+]2CCN(c3ccc4cccc(Cl)c4n3)CC2)CC1 ZINC000065489638 221224458 /nfs/dbraw/zinc/22/44/58/221224458.db2.gz SYJOUAXGTXTNBJ-UHFFFAOYSA-N 2 2 358.917 3.495 50 0 FGAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@H]2CO)[nH+]1 ZINC000067850672 221295672 /nfs/dbraw/zinc/29/56/72/221295672.db2.gz IIGIVEWEIKAUNS-SFHVURJKSA-N 2 2 365.481 3.095 50 0 FGAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCCC[C@H]2CO)[nH+]1 ZINC000067850672 221295674 /nfs/dbraw/zinc/29/56/74/221295674.db2.gz IIGIVEWEIKAUNS-SFHVURJKSA-N 2 2 365.481 3.095 50 0 FGAALP CCC[C@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1[nH+]ccn1C ZINC000067967477 221310148 /nfs/dbraw/zinc/31/01/48/221310148.db2.gz QYQJFPLFRDGTTO-KRWDZBQOSA-N 2 2 362.481 3.476 50 0 FGAALP Fc1ccc(C[C@H]2C[N@H+](Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479425 221350942 /nfs/dbraw/zinc/35/09/42/221350942.db2.gz FMTPJUGHPUPOIX-NRFANRHFSA-N 2 2 351.425 3.455 50 0 FGAALP Fc1ccc(C[C@H]2C[N@@H+](Cc3cccn3-c3cc[nH+]cc3)CCO2)cc1 ZINC000071479425 221350945 /nfs/dbraw/zinc/35/09/45/221350945.db2.gz FMTPJUGHPUPOIX-NRFANRHFSA-N 2 2 351.425 3.455 50 0 FGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1)N1CCCC1 ZINC000071747207 221359865 /nfs/dbraw/zinc/35/98/65/221359865.db2.gz LNWJKOXJSOGKMN-SFHVURJKSA-N 2 2 361.555 3.047 50 0 FGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1)N1CCCC1 ZINC000071747207 221359867 /nfs/dbraw/zinc/35/98/67/221359867.db2.gz LNWJKOXJSOGKMN-SFHVURJKSA-N 2 2 361.555 3.047 50 0 FGAALP Cc1ccc(-c2ccnc(N3CCC([NH2+][C@@H]4CCSC4)CC3)n2)c(C)[nH+]1 ZINC000095530826 132214998 /nfs/dbraw/zinc/21/49/98/132214998.db2.gz HMWLLWLMCRNLIY-QGZVFWFLSA-N 2 2 369.538 3.219 50 0 FGAALP CN(C(=O)c1cnc(C[NH+]2CCCC2)s1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097694849 222206058 /nfs/dbraw/zinc/20/60/58/222206058.db2.gz ZZQSIEMHUXCAGZ-KRWDZBQOSA-N 2 2 372.538 3.114 50 0 FGAALP CN(Cc1ccccc1C[NH+](C)C)C(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426386990 263571511 /nfs/dbraw/zinc/57/15/11/263571511.db2.gz AXSLOBPAAKOIOL-UHFFFAOYSA-N 2 2 362.477 3.421 50 0 FGAALP CC[NH+](CC)CCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccccn1 ZINC000009422639 494123672 /nfs/dbraw/zinc/12/36/72/494123672.db2.gz CPFPRDLDQVTYPM-UHFFFAOYSA-N 2 2 352.486 3.245 50 0 FGAALP Cc1nc([C@@H]2CCC[N@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125589 494129634 /nfs/dbraw/zinc/12/96/34/494129634.db2.gz LFXMQRVETMHKKC-MRXNPFEDSA-N 2 2 355.486 3.326 50 0 FGAALP Cc1nc([C@@H]2CCC[N@@H+](Cc3c[nH+]c(CC4CCCC4)[nH]3)C2)cc(=O)[nH]1 ZINC000072125589 494129636 /nfs/dbraw/zinc/12/96/36/494129636.db2.gz LFXMQRVETMHKKC-MRXNPFEDSA-N 2 2 355.486 3.326 50 0 FGAALP Cc1cc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)oc1C ZINC000072421323 494169589 /nfs/dbraw/zinc/16/95/89/494169589.db2.gz CFVOMMLKZISOID-SFHVURJKSA-N 2 2 371.529 3.390 50 0 FGAALP Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)oc1C ZINC000072421323 494169593 /nfs/dbraw/zinc/16/95/93/494169593.db2.gz CFVOMMLKZISOID-SFHVURJKSA-N 2 2 371.529 3.390 50 0 FGAALP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044932691 494389182 /nfs/dbraw/zinc/38/91/82/494389182.db2.gz XXANQFSYGRGUTD-UHFFFAOYSA-N 2 2 357.417 3.047 50 0 FGAALP Cc1cc(C)c2[nH]c(C[NH+]3CCC(c4[nH+]ccn4C)CC3)cc(=O)c2c1 ZINC000091468853 494604280 /nfs/dbraw/zinc/60/42/80/494604280.db2.gz MJQOKAKYTDYAGS-UHFFFAOYSA-N 2 2 350.466 3.258 50 0 FGAALP C[C@H](C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1)c1ccccc1 ZINC000095385983 494971852 /nfs/dbraw/zinc/97/18/52/494971852.db2.gz RDFGMVORCNDXTP-SFHVURJKSA-N 2 2 368.525 3.345 50 0 FGAALP CCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)s1 ZINC000095525928 494987491 /nfs/dbraw/zinc/98/74/91/494987491.db2.gz AFCJHSJXJZEYRZ-INIZCTEOSA-N 2 2 374.554 3.479 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816259 495746165 /nfs/dbraw/zinc/74/61/65/495746165.db2.gz QVLMXTUOYGMXDJ-WOJBJXKFSA-N 2 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816259 495746170 /nfs/dbraw/zinc/74/61/70/495746170.db2.gz QVLMXTUOYGMXDJ-WOJBJXKFSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816259 495746172 /nfs/dbraw/zinc/74/61/72/495746172.db2.gz QVLMXTUOYGMXDJ-WOJBJXKFSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816259 495746178 /nfs/dbraw/zinc/74/61/78/495746178.db2.gz QVLMXTUOYGMXDJ-WOJBJXKFSA-N 3 2 373.545 3.191 50 0 FGAALP CSCc1noc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000244673777 497366390 /nfs/dbraw/zinc/36/63/90/497366390.db2.gz HVFBWDBUPBWNPF-ZDUSSCGKSA-N 2 2 357.483 3.264 50 0 FGAALP CSCc1noc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000244673777 497366395 /nfs/dbraw/zinc/36/63/95/497366395.db2.gz HVFBWDBUPBWNPF-ZDUSSCGKSA-N 2 2 357.483 3.264 50 0 FGAALP CCN(Cc1[nH+]ccn1C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000426615583 500294924 /nfs/dbraw/zinc/29/49/24/500294924.db2.gz SJRNKFJSTUPEAI-LJQANCHMSA-N 2 2 369.513 3.179 50 0 FGAALP CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000089991212 520827264 /nfs/dbraw/zinc/82/72/64/520827264.db2.gz SAAGKMFSULVDQB-CRAIPNDOSA-N 2 2 367.453 3.415 50 0 FGAALP CCOc1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000089991212 520827272 /nfs/dbraw/zinc/82/72/72/520827272.db2.gz SAAGKMFSULVDQB-CRAIPNDOSA-N 2 2 367.453 3.415 50 0 FGAALP C[C@H](O)c1cccc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH+]1 ZINC000091656231 525858100 /nfs/dbraw/zinc/85/81/00/525858100.db2.gz XGMGFUNMXQVYKF-AWEZNQCLSA-N 2 2 369.494 3.220 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)NC1CCCCC1 ZINC000082096875 526486616 /nfs/dbraw/zinc/48/66/16/526486616.db2.gz YDECXZKNKWJXOA-SFHVURJKSA-N 2 2 358.530 3.312 50 0 FGAALP O=C(CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)NC1CCCCC1 ZINC000082096875 526486621 /nfs/dbraw/zinc/48/66/21/526486621.db2.gz YDECXZKNKWJXOA-SFHVURJKSA-N 2 2 358.530 3.312 50 0 FGAALP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000091416741 526668847 /nfs/dbraw/zinc/66/88/47/526668847.db2.gz PHECLQKOALISOS-UHFFFAOYSA-N 2 2 366.509 3.421 50 0 FGAALP C[C@H](c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)o1)[NH+]1CCCCC1 ZINC000299781663 210024409 /nfs/dbraw/zinc/02/44/09/210024409.db2.gz UBDAHOBOMULOEL-MRXNPFEDSA-N 2 2 366.465 3.447 50 0 FGAALP CC[NH+]1CCN(C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000019889811 211260136 /nfs/dbraw/zinc/26/01/36/211260136.db2.gz NWMOTVAEOPQRFJ-UHFFFAOYSA-N 2 2 366.347 3.051 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000019370664 211218898 /nfs/dbraw/zinc/21/88/98/211218898.db2.gz IFDYDQDKQPTSMB-UHFFFAOYSA-N 2 2 350.462 3.090 50 0 FGAALP Cc1ccccc1[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC000065399001 221211746 /nfs/dbraw/zinc/21/17/46/221211746.db2.gz LEDDGJRMCZOQMY-JOCHJYFZSA-N 2 2 365.521 3.492 50 0 FGAALP CCC(CC)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760205 221366729 /nfs/dbraw/zinc/36/67/29/221366729.db2.gz HCLZDEWZXAAVCL-LJQANCHMSA-N 2 2 372.557 3.063 50 0 FGAALP CCC(CC)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071760205 221366731 /nfs/dbraw/zinc/36/67/31/221366731.db2.gz HCLZDEWZXAAVCL-LJQANCHMSA-N 2 2 372.557 3.063 50 0 FGAALP C[C@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000063835283 136132991 /nfs/dbraw/zinc/13/29/91/136132991.db2.gz GIUQSTBMXOOMBH-GOSISDBHSA-N 2 2 364.497 3.106 50 0 FGAALP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000097098790 222158586 /nfs/dbraw/zinc/15/85/86/222158586.db2.gz UGDLQRHNCHEUCF-UHFFFAOYSA-N 2 2 351.454 3.194 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000097636704 222201538 /nfs/dbraw/zinc/20/15/38/222201538.db2.gz IUMJWTGWBCNBQA-PKOBYXMFSA-N 2 2 358.530 3.171 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000097636704 222201540 /nfs/dbraw/zinc/20/15/40/222201540.db2.gz IUMJWTGWBCNBQA-PKOBYXMFSA-N 2 2 358.530 3.171 50 0 FGAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(F)cc2)c1=[NH2+] ZINC000004703829 493889211 /nfs/dbraw/zinc/88/92/11/493889211.db2.gz DMYBXGQFGZRSSV-UHFFFAOYSA-N 2 2 370.472 3.482 50 0 FGAALP Cc1nc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072133510 494131220 /nfs/dbraw/zinc/13/12/20/494131220.db2.gz ICEHFGPKBGBXPT-CDHQVMDDSA-N 2 2 356.420 3.130 50 0 FGAALP COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152250 494135952 /nfs/dbraw/zinc/13/59/52/494135952.db2.gz NOQJZUQOWNSALK-SFHVURJKSA-N 2 2 357.454 3.250 50 0 FGAALP COC(=O)c1coc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000072152250 494135954 /nfs/dbraw/zinc/13/59/54/494135954.db2.gz NOQJZUQOWNSALK-SFHVURJKSA-N 2 2 357.454 3.250 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000040720352 494145976 /nfs/dbraw/zinc/14/59/76/494145976.db2.gz DNVULROPJHPKQA-UHFFFAOYSA-N 2 2 369.292 3.244 50 0 FGAALP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)n1C ZINC000012317773 494222910 /nfs/dbraw/zinc/22/29/10/494222910.db2.gz OCSOAWFDYMHMOV-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)n1C ZINC000012317773 494222913 /nfs/dbraw/zinc/22/29/13/494222913.db2.gz OCSOAWFDYMHMOV-NRFANRHFSA-N 2 2 356.489 3.356 50 0 FGAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434435 494232561 /nfs/dbraw/zinc/23/25/61/494232561.db2.gz JJFOOMMTHJFAHG-LJQANCHMSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434435 494232563 /nfs/dbraw/zinc/23/25/63/494232563.db2.gz JJFOOMMTHJFAHG-LJQANCHMSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434435 494232566 /nfs/dbraw/zinc/23/25/66/494232566.db2.gz JJFOOMMTHJFAHG-LJQANCHMSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(C)n[nH]3)C2)cc1 ZINC000012434435 494232569 /nfs/dbraw/zinc/23/25/69/494232569.db2.gz JJFOOMMTHJFAHG-LJQANCHMSA-N 2 2 356.514 3.113 50 0 FGAALP Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000020784209 494481122 /nfs/dbraw/zinc/48/11/22/494481122.db2.gz ICFGALUXVKMYBL-UHFFFAOYSA-N 2 2 355.392 3.072 50 0 FGAALP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccncc3)C4)cc2)c[nH+]1 ZINC000091768772 494673492 /nfs/dbraw/zinc/67/34/92/494673492.db2.gz FRPKXHNCMBLNGV-JTHBVZDNSA-N 2 2 373.504 3.364 50 0 FGAALP c1cn(-c2ccc(C[N@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccncc3)C4)cc2)c[nH+]1 ZINC000091768772 494673496 /nfs/dbraw/zinc/67/34/96/494673496.db2.gz FRPKXHNCMBLNGV-JTHBVZDNSA-N 2 2 373.504 3.364 50 0 FGAALP COc1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc2c1OCCO2 ZINC000025362485 494729164 /nfs/dbraw/zinc/72/91/64/494729164.db2.gz IXHKGDLQQXBRLV-LJQANCHMSA-N 2 2 368.477 3.393 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000091943282 494730022 /nfs/dbraw/zinc/73/00/22/494730022.db2.gz CLNKTTNGLSIEGV-HXUWFJFHSA-N 2 2 366.509 3.181 50 0 FGAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000091943282 494730030 /nfs/dbraw/zinc/73/00/30/494730030.db2.gz CLNKTTNGLSIEGV-HXUWFJFHSA-N 2 2 366.509 3.181 50 0 FGAALP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1C ZINC000095386254 494972066 /nfs/dbraw/zinc/97/20/66/494972066.db2.gz VXQCCVUUYVNMPT-AZUAARDMSA-N 2 2 368.525 3.440 50 0 FGAALP COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1C ZINC000095386254 494972067 /nfs/dbraw/zinc/97/20/67/494972067.db2.gz VXQCCVUUYVNMPT-AZUAARDMSA-N 2 2 368.525 3.440 50 0 FGAALP c1cn(CCOc2ccc(CN3CCCC[C@H]3C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000215068866 496977458 /nfs/dbraw/zinc/97/74/58/496977458.db2.gz BMEGZLJRSQAOST-NRFANRHFSA-N 2 2 368.525 3.412 50 0 FGAALP Cc1cc(C)nc(C[N@@H+](C)Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000216007200 496985587 /nfs/dbraw/zinc/98/55/87/496985587.db2.gz CSZKONRLSSGKMN-UHFFFAOYSA-N 2 2 369.509 3.041 50 0 FGAALP Cc1cc(C)nc(C[N@H+](C)Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000216007200 496985590 /nfs/dbraw/zinc/98/55/90/496985590.db2.gz CSZKONRLSSGKMN-UHFFFAOYSA-N 2 2 369.509 3.041 50 0 FGAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244794739 497370001 /nfs/dbraw/zinc/37/00/01/497370001.db2.gz QSQGERWRVNOEEQ-INIZCTEOSA-N 2 2 352.442 3.289 50 0 FGAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244794739 497370003 /nfs/dbraw/zinc/37/00/03/497370003.db2.gz QSQGERWRVNOEEQ-INIZCTEOSA-N 2 2 352.442 3.289 50 0 FGAALP CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426503172 500281293 /nfs/dbraw/zinc/28/12/93/500281293.db2.gz YFVAOIPRDTZQEK-FQEVSTJZSA-N 2 2 350.478 3.159 50 0 FGAALP CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(OC)ccc1F)C2 ZINC000426503172 500281296 /nfs/dbraw/zinc/28/12/96/500281296.db2.gz YFVAOIPRDTZQEK-FQEVSTJZSA-N 2 2 350.478 3.159 50 0 FGAALP CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000426503172 500281298 /nfs/dbraw/zinc/28/12/98/500281298.db2.gz YFVAOIPRDTZQEK-FQEVSTJZSA-N 2 2 350.478 3.159 50 0 FGAALP CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000426503172 500281301 /nfs/dbraw/zinc/28/13/01/500281301.db2.gz YFVAOIPRDTZQEK-FQEVSTJZSA-N 2 2 350.478 3.159 50 0 FGAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccccc3C)s2)C[C@@H]1CO ZINC000091593099 520251665 /nfs/dbraw/zinc/25/16/65/520251665.db2.gz ZKZTUPZSKUGESM-IAGOWNOFSA-N 2 2 359.539 3.111 50 0 FGAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccccc3C)s2)C[C@@H]1CO ZINC000091593099 520251672 /nfs/dbraw/zinc/25/16/72/520251672.db2.gz ZKZTUPZSKUGESM-IAGOWNOFSA-N 2 2 359.539 3.111 50 0 FGAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3C)s2)C[C@@H]1CO ZINC000091593099 520251684 /nfs/dbraw/zinc/25/16/84/520251684.db2.gz ZKZTUPZSKUGESM-IAGOWNOFSA-N 2 2 359.539 3.111 50 0 FGAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3C)s2)C[C@@H]1CO ZINC000091593099 520251693 /nfs/dbraw/zinc/25/16/93/520251693.db2.gz ZKZTUPZSKUGESM-IAGOWNOFSA-N 2 2 359.539 3.111 50 0 FGAALP COc1coc(C[NH+]2CCC(c3[nH+]ccn3CC3CCC3)CC2)cc1=O ZINC000091636148 524945389 /nfs/dbraw/zinc/94/53/89/524945389.db2.gz NJRGVBOGJABQBU-UHFFFAOYSA-N 2 2 357.454 3.025 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)NC1CCCCC1 ZINC000082096874 526486200 /nfs/dbraw/zinc/48/62/00/526486200.db2.gz YDECXZKNKWJXOA-GOSISDBHSA-N 2 2 358.530 3.312 50 0 FGAALP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)NC1CCCCC1 ZINC000082096874 526486203 /nfs/dbraw/zinc/48/62/03/526486203.db2.gz YDECXZKNKWJXOA-GOSISDBHSA-N 2 2 358.530 3.312 50 0 FGAALP CCc1c[nH+]c(C)nc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000092046568 536020305 /nfs/dbraw/zinc/02/03/05/536020305.db2.gz QYEGRAQHCKJNRD-UHFFFAOYSA-N 2 2 362.481 3.371 50 0 FGAALP O[C@@H](Cc1ccccc1)C1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000077287402 132179728 /nfs/dbraw/zinc/17/97/28/132179728.db2.gz OAVSYGPNBYUBEG-NRFANRHFSA-N 2 2 362.477 3.146 50 0 FGAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000092080874 132205934 /nfs/dbraw/zinc/20/59/34/132205934.db2.gz BHBASMAAQACFGK-UHFFFAOYSA-N 2 2 367.419 3.243 50 0 FGAALP Cc1cc(N2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)nc(Nc2cccc(O)c2)[nH+]1 ZINC000102117139 132234451 /nfs/dbraw/zinc/23/44/51/132234451.db2.gz BCFJRGIODCCITC-QWHZDKJVSA-N 2 2 353.470 3.011 50 0 FGAALP Cc1ccc(-c2ccccc2C[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)o1 ZINC000097632005 222199483 /nfs/dbraw/zinc/19/94/83/222199483.db2.gz OWETVHDLFZRSAX-UHFFFAOYSA-N 2 2 367.493 3.041 50 0 FGAALP Cc1ccc(-c2ccccc2C[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)o1 ZINC000097632005 222199488 /nfs/dbraw/zinc/19/94/88/222199488.db2.gz OWETVHDLFZRSAX-UHFFFAOYSA-N 2 2 367.493 3.041 50 0 FGAALP Cc1ccc(-c2cccc(C[NH+]3CCC(O)(Cn4cc[nH+]c4)CC3)c2)o1 ZINC000097744769 222209994 /nfs/dbraw/zinc/20/99/94/222209994.db2.gz OBHJYHTVKHUAMA-UHFFFAOYSA-N 2 2 351.450 3.479 50 0 FGAALP CCCOc1cccc(C[NH2+]C[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)c1 ZINC000058213550 493834174 /nfs/dbraw/zinc/83/41/74/493834174.db2.gz FRYCJMNGHVWVBR-UNMCSNQZSA-N 2 2 356.510 3.476 50 0 FGAALP C[C@H](C1CC[NH+](Cc2ccccc2OCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000077438345 494083084 /nfs/dbraw/zinc/08/30/84/494083084.db2.gz LKMSCYYYTZQRMV-GOSISDBHSA-N 3 2 356.514 3.124 50 0 FGAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000077565660 494117389 /nfs/dbraw/zinc/11/73/89/494117389.db2.gz WUHLDGIKSFNDST-UHFFFAOYSA-N 2 2 367.497 3.485 50 0 FGAALP CNc1nc(N[C@@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)[nH+]c2c1CCC2 ZINC000072473552 494178859 /nfs/dbraw/zinc/17/88/59/494178859.db2.gz GKTFFVIRIWAODJ-MRXNPFEDSA-N 2 2 367.497 3.092 50 0 FGAALP CNc1nc(N[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)[nH+]c2c1CCC2 ZINC000072473552 494178862 /nfs/dbraw/zinc/17/88/62/494178862.db2.gz GKTFFVIRIWAODJ-MRXNPFEDSA-N 2 2 367.497 3.092 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072477317 494181587 /nfs/dbraw/zinc/18/15/87/494181587.db2.gz CCHHQVLXGJCPAD-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072477317 494181591 /nfs/dbraw/zinc/18/15/91/494181591.db2.gz CCHHQVLXGJCPAD-SFHVURJKSA-N 2 2 371.504 3.320 50 0 FGAALP Cc1ccc2[nH]c(CCCNC(=O)CC[C@@H]3CCC[N@@H+](C)C3)[nH+]c2c1C ZINC000095358673 494962859 /nfs/dbraw/zinc/96/28/59/494962859.db2.gz LHXYWFLXGLJPGE-KRWDZBQOSA-N 2 2 356.514 3.351 50 0 FGAALP Cc1ccc2[nH]c(CCCNC(=O)CC[C@@H]3CCC[N@H+](C)C3)[nH+]c2c1C ZINC000095358673 494962862 /nfs/dbraw/zinc/96/28/62/494962862.db2.gz LHXYWFLXGLJPGE-KRWDZBQOSA-N 2 2 356.514 3.351 50 0 FGAALP CN(C)C(=O)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCCC1 ZINC000095445242 494975201 /nfs/dbraw/zinc/97/52/01/494975201.db2.gz PEHAMEUWZOJQAR-LJQANCHMSA-N 2 2 357.542 3.278 50 0 FGAALP CN(C)C(=O)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCCC1 ZINC000095445242 494975204 /nfs/dbraw/zinc/97/52/04/494975204.db2.gz PEHAMEUWZOJQAR-LJQANCHMSA-N 2 2 357.542 3.278 50 0 FGAALP C=Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095501288 494981132 /nfs/dbraw/zinc/98/11/32/494981132.db2.gz KLUQFRFPJTWWET-FQEVSTJZSA-N 2 2 366.509 3.498 50 0 FGAALP CN(Cc1ccc(Cl)cc1Cl)c1cc(C2CC([NH3+])C2)[nH+]c(N)n1 ZINC000219129286 497007191 /nfs/dbraw/zinc/00/71/91/497007191.db2.gz NOPQFLIYYZLACP-UHFFFAOYSA-N 2 2 352.269 3.207 50 0 FGAALP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cncc(Br)c3)C2)[nH+]1 ZINC000237748571 497286050 /nfs/dbraw/zinc/28/60/50/497286050.db2.gz CXQLKUZVGOATKK-AWEZNQCLSA-N 2 2 361.287 3.482 50 0 FGAALP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cncc(Br)c3)C2)[nH+]1 ZINC000237748571 497286051 /nfs/dbraw/zinc/28/60/51/497286051.db2.gz CXQLKUZVGOATKK-AWEZNQCLSA-N 2 2 361.287 3.482 50 0 FGAALP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237747563 497286096 /nfs/dbraw/zinc/28/60/96/497286096.db2.gz ZRXWFZXRSIAJCJ-UHFFFAOYSA-N 2 2 362.440 3.068 50 0 FGAALP Cc1csc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)n1 ZINC000244748832 497370476 /nfs/dbraw/zinc/37/04/76/497370476.db2.gz OPFUYSPKWLZQLS-AWEZNQCLSA-N 2 2 361.515 3.436 50 0 FGAALP c1coc(CN2CCC([NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)c1 ZINC000584892224 507558864 /nfs/dbraw/zinc/55/88/64/507558864.db2.gz YKAKZERYZSNGOF-OAQYLSRUSA-N 2 2 350.466 3.472 50 0 FGAALP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000241465940 524450186 /nfs/dbraw/zinc/45/01/86/524450186.db2.gz NTDFOFIFNABKBU-HMXCVIKNSA-N 2 2 356.510 3.207 50 0 FGAALP C[NH+](C)Cc1csc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)c1 ZINC000216107364 568105968 /nfs/dbraw/zinc/10/59/68/568105968.db2.gz TXTCTJZLXFJZNP-UHFFFAOYSA-N 2 2 353.495 3.153 50 0 FGAALP C[NH+](C)Cc1csc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)c1 ZINC000216107364 568105969 /nfs/dbraw/zinc/10/59/69/568105969.db2.gz TXTCTJZLXFJZNP-UHFFFAOYSA-N 2 2 353.495 3.153 50 0 FGAALP CC[NH+]1CCN(Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)CC1 ZINC000220113677 568322580 /nfs/dbraw/zinc/32/25/80/568322580.db2.gz MOIIYYPAMFBDPF-UHFFFAOYSA-N 2 2 362.905 3.143 50 0 FGAALP CC[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000019888825 211259290 /nfs/dbraw/zinc/25/92/90/211259290.db2.gz QVUKVXOEZQSEID-UHFFFAOYSA-N 2 2 366.347 3.051 50 0 FGAALP CC[NH+](CC)CCNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000002411600 210397099 /nfs/dbraw/zinc/39/70/99/210397099.db2.gz YWNFILIWSMKDLW-UHFFFAOYSA-N 2 2 365.572 3.155 50 0 FGAALP CC[NH+](CC)CCNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000002411600 210397102 /nfs/dbraw/zinc/39/71/02/210397102.db2.gz YWNFILIWSMKDLW-UHFFFAOYSA-N 2 2 365.572 3.155 50 0 FGAALP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CC[NH+]4CCCCC4)[C@H]3C=C12 ZINC000020113537 220314442 /nfs/dbraw/zinc/31/44/42/220314442.db2.gz VWNJIPQRTGDQTP-FIEIAYSHSA-N 2 2 360.542 3.376 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)oc1C ZINC000071747352 221359670 /nfs/dbraw/zinc/35/96/70/221359670.db2.gz PVNYXRVIZVGKFQ-IBGZPJMESA-N 2 2 373.541 3.195 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)oc1C ZINC000071747352 221359673 /nfs/dbraw/zinc/35/96/73/221359673.db2.gz PVNYXRVIZVGKFQ-IBGZPJMESA-N 2 2 373.541 3.195 50 0 FGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730450 221356297 /nfs/dbraw/zinc/35/62/97/221356297.db2.gz AMADGOGUNQASHS-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1)N1CCCC1 ZINC000071730450 221356299 /nfs/dbraw/zinc/35/62/99/221356299.db2.gz AMADGOGUNQASHS-IBGZPJMESA-N 2 2 373.516 3.125 50 0 FGAALP Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c(C)c(C)[nH+]1 ZINC000091547204 132202008 /nfs/dbraw/zinc/20/20/08/132202008.db2.gz YBKHPBFZHWONIS-LJQANCHMSA-N 2 2 362.481 3.426 50 0 FGAALP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000005206982 493919654 /nfs/dbraw/zinc/91/96/54/493919654.db2.gz FHKDAXZTOBYNKS-UHFFFAOYSA-N 2 2 350.426 3.388 50 0 FGAALP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 ZINC000077437764 494083148 /nfs/dbraw/zinc/08/31/48/494083148.db2.gz UFPVMHZIOQLZTK-LJQANCHMSA-N 2 2 367.541 3.407 50 0 FGAALP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c1 ZINC000077437764 494083149 /nfs/dbraw/zinc/08/31/49/494083149.db2.gz UFPVMHZIOQLZTK-LJQANCHMSA-N 2 2 367.541 3.407 50 0 FGAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077556019 494113918 /nfs/dbraw/zinc/11/39/18/494113918.db2.gz BTXPUXISVCKSOJ-QGZVFWFLSA-N 2 2 360.395 3.267 50 0 FGAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000077556019 494113922 /nfs/dbraw/zinc/11/39/22/494113922.db2.gz BTXPUXISVCKSOJ-QGZVFWFLSA-N 2 2 360.395 3.267 50 0 FGAALP Cc1cc(C)cc(CN2CC[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)c1 ZINC000072129803 494130732 /nfs/dbraw/zinc/13/07/32/494130732.db2.gz JIBKNPVWNLELOQ-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1cc(C)cc(CN2CC[N@@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)c1 ZINC000072129803 494130735 /nfs/dbraw/zinc/13/07/35/494130735.db2.gz JIBKNPVWNLELOQ-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1cc(C)cc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000072129803 494130738 /nfs/dbraw/zinc/13/07/38/494130738.db2.gz JIBKNPVWNLELOQ-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1cc(C)cc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000072129803 494130741 /nfs/dbraw/zinc/13/07/41/494130741.db2.gz JIBKNPVWNLELOQ-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP C[C@H](C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1)[NH+]1CCOCC1 ZINC000072469002 494179353 /nfs/dbraw/zinc/17/93/53/494179353.db2.gz MDFINBBIIGVGHZ-CYBMUJFWSA-N 2 2 358.313 3.321 50 0 FGAALP Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)[nH+]1 ZINC000011936105 494197858 /nfs/dbraw/zinc/19/78/58/494197858.db2.gz WIRREXYLAWAZNF-UHFFFAOYSA-N 2 2 369.419 3.381 50 0 FGAALP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c[nH+]c(C)[nH]3)CC2)cc1 ZINC000012302181 494221250 /nfs/dbraw/zinc/22/12/50/494221250.db2.gz JUQYHWVVTOWBEF-UHFFFAOYSA-N 3 2 356.514 3.113 50 0 FGAALP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c[nH+]c(C)[nH]3)CC2)cc1 ZINC000012302181 494221251 /nfs/dbraw/zinc/22/12/51/494221251.db2.gz JUQYHWVVTOWBEF-UHFFFAOYSA-N 3 2 356.514 3.113 50 0 FGAALP CC(C)c1nccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055109235 494302991 /nfs/dbraw/zinc/30/29/91/494302991.db2.gz ZSUGXFOORDSFQH-UHFFFAOYSA-N 2 2 350.470 3.284 50 0 FGAALP CC(C)c1nccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055109235 494302995 /nfs/dbraw/zinc/30/29/95/494302995.db2.gz ZSUGXFOORDSFQH-UHFFFAOYSA-N 2 2 350.470 3.284 50 0 FGAALP Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)c2ccccn12 ZINC000091326719 494583201 /nfs/dbraw/zinc/58/32/01/494583201.db2.gz BOGRSIYJNNENMV-FUHWJXTLSA-N 2 2 367.522 3.196 50 0 FGAALP Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)c2ccccn12 ZINC000091326719 494583210 /nfs/dbraw/zinc/58/32/10/494583210.db2.gz BOGRSIYJNNENMV-FUHWJXTLSA-N 2 2 367.522 3.196 50 0 FGAALP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000170091633 496718925 /nfs/dbraw/zinc/71/89/25/496718925.db2.gz GRJNPEFJBZCTGU-MJGOQNOKSA-N 2 2 359.514 3.005 50 0 FGAALP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000170091633 496718927 /nfs/dbraw/zinc/71/89/27/496718927.db2.gz GRJNPEFJBZCTGU-MJGOQNOKSA-N 2 2 359.514 3.005 50 0 FGAALP Cc1nc(NC2CC[NH+](Cc3cccs3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252527442 497310695 /nfs/dbraw/zinc/31/06/95/497310695.db2.gz COXHARGMSSRZJJ-FZNQNYSPSA-N 2 2 358.511 3.161 50 0 FGAALP Nc1cc2cc(-c3cccc(C(=O)NCC4CC[NH2+]CC4)c3)ccc2c[nH+]1 ZINC000584892999 507560302 /nfs/dbraw/zinc/56/03/02/507560302.db2.gz QSKZQFDLUNWBGP-UHFFFAOYSA-N 2 2 360.461 3.044 50 0 FGAALP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCc1c(C)noc1C ZINC000166408497 522462823 /nfs/dbraw/zinc/46/28/23/522462823.db2.gz ZKZPQIPUMKSADJ-QGZVFWFLSA-N 2 2 359.470 3.063 50 0 FGAALP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCc1c(C)noc1C ZINC000166408497 522462830 /nfs/dbraw/zinc/46/28/30/522462830.db2.gz ZKZPQIPUMKSADJ-QGZVFWFLSA-N 2 2 359.470 3.063 50 0 FGAALP Cc1cc(C)c(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)[nH+]1 ZINC000299790035 210031797 /nfs/dbraw/zinc/03/17/97/210031797.db2.gz AJKWEOADTUWDKV-UHFFFAOYSA-N 2 2 360.502 3.163 50 0 FGAALP CCC[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)o2)CC1 ZINC000299768832 210016307 /nfs/dbraw/zinc/01/63/07/210016307.db2.gz QJPVROWBTZTVDZ-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP CCC[NH+]1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)o2)CC1 ZINC000299768832 210016313 /nfs/dbraw/zinc/01/63/13/210016313.db2.gz QJPVROWBTZTVDZ-UHFFFAOYSA-N 2 2 367.493 3.006 50 0 FGAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753681 221363687 /nfs/dbraw/zinc/36/36/87/221363687.db2.gz CKNLIQVZKLCKNI-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071753681 221363688 /nfs/dbraw/zinc/36/36/88/221363688.db2.gz CKNLIQVZKLCKNI-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP CCCc1cc(N2CCC([NH2+][C@@H]3COc4ccccc43)CC2)nc(C)[nH+]1 ZINC000096149926 132220549 /nfs/dbraw/zinc/22/05/49/132220549.db2.gz JOWMJIQJDHGDIU-LJQANCHMSA-N 2 2 352.482 3.430 50 0 FGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000095407044 221899948 /nfs/dbraw/zinc/89/99/48/221899948.db2.gz LTTRLQJPKZZQEW-UTKZUKDTSA-N 2 2 367.493 3.309 50 0 FGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000095407044 221899950 /nfs/dbraw/zinc/89/99/50/221899950.db2.gz LTTRLQJPKZZQEW-UTKZUKDTSA-N 2 2 367.493 3.309 50 0 FGAALP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474910 222183413 /nfs/dbraw/zinc/18/34/13/222183413.db2.gz ZCPGYINRAGXAOS-LJQANCHMSA-N 2 2 360.885 3.469 50 0 FGAALP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccc(Cl)cc2)CCO1 ZINC000097474910 222183417 /nfs/dbraw/zinc/18/34/17/222183417.db2.gz ZCPGYINRAGXAOS-LJQANCHMSA-N 2 2 360.885 3.469 50 0 FGAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(C)cc2)c1=[NH2+] ZINC000002955287 493826972 /nfs/dbraw/zinc/82/69/72/493826972.db2.gz DFYJEMWNWBXNDV-NRFANRHFSA-N 2 2 366.509 3.306 50 0 FGAALP O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154255 494137514 /nfs/dbraw/zinc/13/75/14/494137514.db2.gz UHFYNYFVSZMMQX-GOSISDBHSA-N 2 2 370.522 3.019 50 0 FGAALP O=C(CC[N@H+]1CCC[C@@H]1c1ccsc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154255 494137519 /nfs/dbraw/zinc/13/75/19/494137519.db2.gz UHFYNYFVSZMMQX-GOSISDBHSA-N 2 2 370.522 3.019 50 0 FGAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)n1C ZINC000012302311 494221974 /nfs/dbraw/zinc/22/19/74/494221974.db2.gz SARWQRPNUZXLLE-JOCHJYFZSA-N 2 2 366.509 3.052 50 0 FGAALP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)n1C ZINC000012302311 494221978 /nfs/dbraw/zinc/22/19/78/494221978.db2.gz SARWQRPNUZXLLE-JOCHJYFZSA-N 2 2 366.509 3.052 50 0 FGAALP CCc1oc(C(=O)NCc2c[nH+]c3ccccn23)cc1C[NH+]1CCCC1 ZINC000055254108 494319376 /nfs/dbraw/zinc/31/93/76/494319376.db2.gz NVQXFQALPWOBHT-UHFFFAOYSA-N 2 2 352.438 3.016 50 0 FGAALP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932625 494389241 /nfs/dbraw/zinc/38/92/41/494389241.db2.gz HZGQNODRZBQEMF-UHFFFAOYSA-N 2 2 374.488 3.401 50 0 FGAALP Cc1[nH+]c[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)c(F)c1F)C2 ZINC000091586073 494621813 /nfs/dbraw/zinc/62/18/13/494621813.db2.gz LEFYSTQLSUQCPG-DZGCQCFKSA-N 2 2 364.415 3.232 50 0 FGAALP Cc1[nH+]c[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)c(F)c1F)C2 ZINC000091586073 494621820 /nfs/dbraw/zinc/62/18/20/494621820.db2.gz LEFYSTQLSUQCPG-DZGCQCFKSA-N 2 2 364.415 3.232 50 0 FGAALP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597344 494742052 /nfs/dbraw/zinc/74/20/52/494742052.db2.gz ODDJOOYCWWXGOG-GOSISDBHSA-N 2 2 369.513 3.005 50 0 FGAALP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597344 494742061 /nfs/dbraw/zinc/74/20/61/494742061.db2.gz ODDJOOYCWWXGOG-GOSISDBHSA-N 2 2 369.513 3.005 50 0 FGAALP CCc1ccccc1NC(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000095508005 494983692 /nfs/dbraw/zinc/98/36/92/494983692.db2.gz LDEDKOMMARNWGK-UHFFFAOYSA-N 2 2 369.513 3.419 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000095530906 494988113 /nfs/dbraw/zinc/98/81/13/494988113.db2.gz KYZYHULCHDIKKA-KRWDZBQOSA-N 2 2 355.486 3.246 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247734490 496910885 /nfs/dbraw/zinc/91/08/85/496910885.db2.gz JNACGXGFAPVACJ-UHFFFAOYSA-N 2 2 357.885 3.015 50 0 FGAALP Cc1cn2c(nc(C[N@@H+]3CCCC[C@@H]3CCn3cc[nH+]c3C)cc2=O)s1 ZINC000252494849 497306252 /nfs/dbraw/zinc/30/62/52/497306252.db2.gz OGMCHOWLKMAKLU-QGZVFWFLSA-N 2 2 371.510 3.014 50 0 FGAALP Cc1cn2c(nc(C[N@H+]3CCCC[C@@H]3CCn3cc[nH+]c3C)cc2=O)s1 ZINC000252494849 497306259 /nfs/dbraw/zinc/30/62/59/497306259.db2.gz OGMCHOWLKMAKLU-QGZVFWFLSA-N 2 2 371.510 3.014 50 0 FGAALP O=C(CC[NH+]1CCC([NH+]2CCSCC2)CC1)Nc1ccccc1Cl ZINC000244715929 497367836 /nfs/dbraw/zinc/36/78/36/497367836.db2.gz LEWMQLVQDFAXJE-UHFFFAOYSA-N 2 2 367.946 3.182 50 0 FGAALP C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C1 ZINC000426518701 500283467 /nfs/dbraw/zinc/28/34/67/500283467.db2.gz FUOAIUHOXGWUBW-HNNXBMFYSA-N 2 2 350.466 3.030 50 0 FGAALP C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C1 ZINC000426518701 500283470 /nfs/dbraw/zinc/28/34/70/500283470.db2.gz FUOAIUHOXGWUBW-HNNXBMFYSA-N 2 2 350.466 3.030 50 0 FGAALP CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC000426712145 500310003 /nfs/dbraw/zinc/31/00/03/500310003.db2.gz NHVALSQMVDZHKU-UHFFFAOYSA-N 2 2 366.509 3.499 50 0 FGAALP C[NH+](C)C[C@]1(O)CCCN(c2cc[nH+]c3c2cccc3C(F)(F)F)C1 ZINC000072424254 535974906 /nfs/dbraw/zinc/97/49/06/535974906.db2.gz NWLGOYFMJNBEAK-QGZVFWFLSA-N 2 2 353.388 3.147 50 0 FGAALP Cc1[nH]c2ccc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)cc2[nH+]1 ZINC000584884589 570644145 /nfs/dbraw/zinc/64/41/45/570644145.db2.gz FKRHVMZUYGHDHC-UHFFFAOYSA-N 2 2 371.510 3.206 50 0 FGAALP Cc1[nH]c2cc(CNC(=O)N(CC[NH+](C)C)Cc3ccsc3)ccc2[nH+]1 ZINC000584884589 570644147 /nfs/dbraw/zinc/64/41/47/570644147.db2.gz FKRHVMZUYGHDHC-UHFFFAOYSA-N 2 2 371.510 3.206 50 0 FGAALP Cc1ccc2[nH]c(CCNC(=O)C3([NH+]4CCCC4)CCCC3)[nH+]c2c1C ZINC000299757774 210008665 /nfs/dbraw/zinc/00/86/65/210008665.db2.gz NBAYPGDDYBAGLJ-UHFFFAOYSA-N 2 2 354.498 3.247 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000067739749 221278973 /nfs/dbraw/zinc/27/89/73/221278973.db2.gz SFIVGJSOTUEXFC-OKILXGFUSA-N 2 2 351.372 3.320 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000067739749 221278975 /nfs/dbraw/zinc/27/89/75/221278975.db2.gz SFIVGJSOTUEXFC-OKILXGFUSA-N 2 2 351.372 3.320 50 0 FGAALP Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000067679119 221271082 /nfs/dbraw/zinc/27/10/82/221271082.db2.gz WBGQAKLUZNFKLM-UHFFFAOYSA-N 2 2 366.465 3.182 50 0 FGAALP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc2[nH+]ccn2c1 ZINC000068289460 221314282 /nfs/dbraw/zinc/31/42/82/221314282.db2.gz IENHIEXOTZVMQX-UHFFFAOYSA-N 2 2 370.403 3.007 50 0 FGAALP CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc(-n4cc[nH+]c4)cc3)CC2)CCO1 ZINC000063832728 136132981 /nfs/dbraw/zinc/13/29/81/136132981.db2.gz DXCRIJFPEWOHHR-SFHVURJKSA-N 2 2 354.498 3.388 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082170627 493980855 /nfs/dbraw/zinc/98/08/55/493980855.db2.gz MQUFJSMRLCDMIB-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cc1 ZINC000082170627 493980861 /nfs/dbraw/zinc/98/08/61/493980861.db2.gz MQUFJSMRLCDMIB-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082170627 493980864 /nfs/dbraw/zinc/98/08/64/493980864.db2.gz MQUFJSMRLCDMIB-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cc1 ZINC000082170627 493980868 /nfs/dbraw/zinc/98/08/68/493980868.db2.gz MQUFJSMRLCDMIB-JOCHJYFZSA-N 2 2 366.509 3.165 50 0 FGAALP O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077298366 494050769 /nfs/dbraw/zinc/05/07/69/494050769.db2.gz SBFWLRBTPZTNJL-HXUWFJFHSA-N 2 2 366.509 3.418 50 0 FGAALP C[C@@H](C1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077342891 494061620 /nfs/dbraw/zinc/06/16/20/494061620.db2.gz ABYJWIOZRIETOR-AWEZNQCLSA-N 2 2 371.903 3.466 50 0 FGAALP COc1ccc(-c2[nH+]ccn2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1O ZINC000077408363 494076982 /nfs/dbraw/zinc/07/69/82/494076982.db2.gz QHPCRAOKERKILQ-SFHVURJKSA-N 2 2 364.449 3.496 50 0 FGAALP COc1ccc(-c2[nH+]ccn2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1O ZINC000077408363 494076986 /nfs/dbraw/zinc/07/69/86/494076986.db2.gz QHPCRAOKERKILQ-SFHVURJKSA-N 2 2 364.449 3.496 50 0 FGAALP C[C@@H](C1CC[NH+](Cc2ccccc2OCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000077438343 494082895 /nfs/dbraw/zinc/08/28/95/494082895.db2.gz LKMSCYYYTZQRMV-SFHVURJKSA-N 3 2 356.514 3.124 50 0 FGAALP [NH3+]CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000008428550 494090284 /nfs/dbraw/zinc/09/02/84/494090284.db2.gz HTNULYMEWGTYEG-UHFFFAOYSA-N 2 2 365.934 3.348 50 0 FGAALP COc1ccc(Cl)c2c(=O)c(C[N@H+](C)C3CC[NH+](C)CC3)c(C)[nH]c12 ZINC000008717469 494101154 /nfs/dbraw/zinc/10/11/54/494101154.db2.gz XLSTUDONAXZYHA-UHFFFAOYSA-N 2 2 363.889 3.437 50 0 FGAALP COc1ccc(Cl)c2c(=O)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(C)[nH]c12 ZINC000008717469 494101156 /nfs/dbraw/zinc/10/11/56/494101156.db2.gz XLSTUDONAXZYHA-UHFFFAOYSA-N 2 2 363.889 3.437 50 0 FGAALP Cc1ccc(C[N@@H+]2CC[C@H]3[NH+](Cc4ccoc4)CCC[C@]3(CO)C2)s1 ZINC000072166484 494142133 /nfs/dbraw/zinc/14/21/33/494142133.db2.gz KNKWGPHEPRKYMH-WOJBJXKFSA-N 2 2 360.523 3.499 50 0 FGAALP Cc1ccc(C[N@H+]2CC[C@H]3[NH+](Cc4ccoc4)CCC[C@]3(CO)C2)s1 ZINC000072166484 494142134 /nfs/dbraw/zinc/14/21/34/494142134.db2.gz KNKWGPHEPRKYMH-WOJBJXKFSA-N 2 2 360.523 3.499 50 0 FGAALP Cc1ccc(C[NH+]2CC[C@H]3[N@H+](Cc4ccoc4)CCC[C@]3(CO)C2)s1 ZINC000072166484 494142137 /nfs/dbraw/zinc/14/21/37/494142137.db2.gz KNKWGPHEPRKYMH-WOJBJXKFSA-N 2 2 360.523 3.499 50 0 FGAALP Cc1ccc(C[NH+]2CC[C@H]3[N@@H+](Cc4ccoc4)CCC[C@]3(CO)C2)s1 ZINC000072166484 494142138 /nfs/dbraw/zinc/14/21/38/494142138.db2.gz KNKWGPHEPRKYMH-WOJBJXKFSA-N 2 2 360.523 3.499 50 0 FGAALP C[NH+](C)CCNC(=O)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000065178260 494177934 /nfs/dbraw/zinc/17/79/34/494177934.db2.gz XJBKRJWUXKFGGK-UHFFFAOYSA-N 2 2 366.509 3.420 50 0 FGAALP Cc1cc(N2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c2ccccc2[nH+]1 ZINC000072468791 494178364 /nfs/dbraw/zinc/17/83/64/494178364.db2.gz HEXRKTLDQXMTPE-MRXNPFEDSA-N 2 2 364.497 3.117 50 0 FGAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2[nH+]c3c(c(N)c12)CCCCCC3 ZINC000012321179 494224523 /nfs/dbraw/zinc/22/45/23/494224523.db2.gz HMDNNPONAUYJPY-UHFFFAOYSA-N 2 2 356.514 3.227 50 0 FGAALP OC[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCCC1 ZINC000091595734 494623878 /nfs/dbraw/zinc/62/38/78/494623878.db2.gz HZPIKALWGWXTEF-IAGOWNOFSA-N 2 2 354.897 3.395 50 0 FGAALP OC[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCCC1 ZINC000091595734 494623881 /nfs/dbraw/zinc/62/38/81/494623881.db2.gz HZPIKALWGWXTEF-IAGOWNOFSA-N 2 2 354.897 3.395 50 0 FGAALP c1cn(Cc2nnc(C3CC[NH+](C4CCCCC4)CC3)n2C2CC2)c[nH+]1 ZINC000091644276 494636242 /nfs/dbraw/zinc/63/62/42/494636242.db2.gz CORVNYPUDNPPSR-UHFFFAOYSA-N 2 2 354.502 3.370 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000095367384 494965784 /nfs/dbraw/zinc/96/57/84/494965784.db2.gz YSMHYTQPVHNWSX-INIZCTEOSA-N 2 2 373.476 3.385 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000095377864 494969713 /nfs/dbraw/zinc/96/97/13/494969713.db2.gz CFDPFAYELYTGIT-UHFFFAOYSA-N 2 2 361.534 3.057 50 0 FGAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095527586 494988270 /nfs/dbraw/zinc/98/82/70/494988270.db2.gz IHVDGKPZOBWDMM-VQIMIIECSA-N 2 2 350.466 3.023 50 0 FGAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095527586 494988272 /nfs/dbraw/zinc/98/82/72/494988272.db2.gz IHVDGKPZOBWDMM-VQIMIIECSA-N 2 2 350.466 3.023 50 0 FGAALP C[N@H+](CC(=O)N(Cc1ccccc1)CC1CCCCC1)C1CC[NH2+]CC1 ZINC000215336622 496979369 /nfs/dbraw/zinc/97/93/69/496979369.db2.gz HWAXVLATJKYKRO-UHFFFAOYSA-N 2 2 357.542 3.279 50 0 FGAALP C[N@@H+](CC(=O)N(Cc1ccccc1)CC1CCCCC1)C1CC[NH2+]CC1 ZINC000215336622 496979373 /nfs/dbraw/zinc/97/93/73/496979373.db2.gz HWAXVLATJKYKRO-UHFFFAOYSA-N 2 2 357.542 3.279 50 0 FGAALP O[C@@H](C[N@@H+]1CCC[C@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000252476909 497300534 /nfs/dbraw/zinc/30/05/34/497300534.db2.gz DPKIVYBMKBAMHM-UXHICEINSA-N 2 2 371.550 3.068 50 0 FGAALP O[C@@H](C[N@H+]1CCC[C@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000252476909 497300535 /nfs/dbraw/zinc/30/05/35/497300535.db2.gz DPKIVYBMKBAMHM-UXHICEINSA-N 2 2 371.550 3.068 50 0 FGAALP COc1c[nH]c(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1=O ZINC000252482183 497302715 /nfs/dbraw/zinc/30/27/15/497302715.db2.gz DAECCFNGDYGVLU-CQSZACIVSA-N 2 2 352.438 3.127 50 0 FGAALP COc1c[nH]c(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1=O ZINC000252482183 497302719 /nfs/dbraw/zinc/30/27/19/497302719.db2.gz DAECCFNGDYGVLU-CQSZACIVSA-N 2 2 352.438 3.127 50 0 FGAALP 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/nfs/dbraw/zinc/28/11/89/500281189.db2.gz YFVAOIPRDTZQEK-HXUWFJFHSA-N 2 2 350.478 3.159 50 0 FGAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)c[nH+]1 ZINC000020600702 521294348 /nfs/dbraw/zinc/29/43/48/521294348.db2.gz YKDPVVAAJNFKEE-HXUWFJFHSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)c[nH+]1 ZINC000020600702 521294354 /nfs/dbraw/zinc/29/43/54/521294354.db2.gz YKDPVVAAJNFKEE-HXUWFJFHSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)[nH+]1 ZINC000020600702 521294361 /nfs/dbraw/zinc/29/43/61/521294361.db2.gz YKDPVVAAJNFKEE-HXUWFJFHSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)[nH+]1 ZINC000020600702 521294366 /nfs/dbraw/zinc/29/43/66/521294366.db2.gz YKDPVVAAJNFKEE-HXUWFJFHSA-N 2 2 355.530 3.286 50 0 FGAALP C[NH+](C)Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)nc1 ZINC000095381589 536012607 /nfs/dbraw/zinc/01/26/07/536012607.db2.gz DYDDXCCTSWGKFX-UHFFFAOYSA-N 2 2 362.880 3.258 50 0 FGAALP O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000047794645 570931432 /nfs/dbraw/zinc/93/14/32/570931432.db2.gz RYHKILUBILNFSR-OAQYLSRUSA-N 2 2 360.461 3.326 50 0 FGAALP CCOc1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000229946964 210178746 /nfs/dbraw/zinc/17/87/46/210178746.db2.gz SAAGKMFSULVDQB-YJBOKZPZSA-N 2 2 367.453 3.415 50 0 FGAALP CCOc1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000229946964 210178751 /nfs/dbraw/zinc/17/87/51/210178751.db2.gz SAAGKMFSULVDQB-YJBOKZPZSA-N 2 2 367.453 3.415 50 0 FGAALP c1cn(CCC[NH2+]Cc2nn(Cc3ccccc3)nc2-c2ccccc2)c[nH+]1 ZINC000261492629 223076086 /nfs/dbraw/zinc/07/60/86/223076086.db2.gz VRWBMHNDCIRFTJ-UHFFFAOYSA-N 2 2 372.476 3.370 50 0 FGAALP Cn1cc[nH+]c1CNCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000019608140 211239615 /nfs/dbraw/zinc/23/96/15/211239615.db2.gz SOYOIAXKEJXLGY-UHFFFAOYSA-N 2 2 360.505 3.179 50 0 FGAALP Cn1cc[nH+]c1CNCC1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000019608140 211239619 /nfs/dbraw/zinc/23/96/19/211239619.db2.gz SOYOIAXKEJXLGY-UHFFFAOYSA-N 2 2 360.505 3.179 50 0 FGAALP COCC[N@@H+]1CC[C@@H](Cn2c[nH+]c(-c3ccccc3)c2CCSC)C1 ZINC000065383052 221207143 /nfs/dbraw/zinc/20/71/43/221207143.db2.gz QIVSKXKQFLGZNO-QGZVFWFLSA-N 2 2 359.539 3.424 50 0 FGAALP COCC[N@H+]1CC[C@@H](Cn2c[nH+]c(-c3ccccc3)c2CCSC)C1 ZINC000065383052 221207146 /nfs/dbraw/zinc/20/71/46/221207146.db2.gz QIVSKXKQFLGZNO-QGZVFWFLSA-N 2 2 359.539 3.424 50 0 FGAALP COCCn1c[nH+]cc1Cn1c[nH+]c(-c2ccccc2)c1CCSC ZINC000065463051 221222660 /nfs/dbraw/zinc/22/26/60/221222660.db2.gz UACJSWJQMCNBCT-UHFFFAOYSA-N 2 2 356.495 3.347 50 0 FGAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCCC1 ZINC000071750820 221362535 /nfs/dbraw/zinc/36/25/35/221362535.db2.gz XYUMAHCFAKLYGM-KRWDZBQOSA-N 2 2 361.555 3.047 50 0 FGAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCCC1 ZINC000071750820 221362537 /nfs/dbraw/zinc/36/25/37/221362537.db2.gz XYUMAHCFAKLYGM-KRWDZBQOSA-N 2 2 361.555 3.047 50 0 FGAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000757713 132378388 /nfs/dbraw/zinc/37/83/88/132378388.db2.gz MMFLVFDGUHOEBP-UHFFFAOYSA-N 2 2 365.521 3.482 50 0 FGAALP Cc1cc(N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc(C)[nH+]1 ZINC000072473673 136148994 /nfs/dbraw/zinc/14/89/94/136148994.db2.gz OKMIAEUSNDTHAI-SFHVURJKSA-N 2 2 368.529 3.197 50 0 FGAALP CCc1c(C)[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082083255 493977572 /nfs/dbraw/zinc/97/75/72/493977572.db2.gz AHVSHSSQAPLUPJ-UHFFFAOYSA-N 2 2 356.518 3.326 50 0 FGAALP CCc1c(C)[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082083255 493977575 /nfs/dbraw/zinc/97/75/75/493977575.db2.gz AHVSHSSQAPLUPJ-UHFFFAOYSA-N 2 2 356.518 3.326 50 0 FGAALP c1csc(C[N@H+]2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000077321881 494057702 /nfs/dbraw/zinc/05/77/02/494057702.db2.gz VQYHSJDCZKGBRS-UHFFFAOYSA-N 2 2 353.495 3.100 50 0 FGAALP c1csc(C[N@@H+]2CCCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000077321881 494057705 /nfs/dbraw/zinc/05/77/05/494057705.db2.gz VQYHSJDCZKGBRS-UHFFFAOYSA-N 2 2 353.495 3.100 50 0 FGAALP Cc1c(F)cccc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077540202 494108564 /nfs/dbraw/zinc/10/85/64/494108564.db2.gz MLCYBANBNFTJNL-UHFFFAOYSA-N 2 2 371.504 3.238 50 0 FGAALP OCCOc1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072150335 494135766 /nfs/dbraw/zinc/13/57/66/494135766.db2.gz OWQSFKVZXKNCSQ-QGZVFWFLSA-N 2 2 365.477 3.389 50 0 FGAALP OCCOc1ccccc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000072150335 494135770 /nfs/dbraw/zinc/13/57/70/494135770.db2.gz OWQSFKVZXKNCSQ-QGZVFWFLSA-N 2 2 365.477 3.389 50 0 FGAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000092046451 494768431 /nfs/dbraw/zinc/76/84/31/494768431.db2.gz CGVAGSHPGIUZLE-UHFFFAOYSA-N 2 2 356.518 3.210 50 0 FGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000092081516 494784219 /nfs/dbraw/zinc/78/42/19/494784219.db2.gz ARQMMOJMLZJVRM-CQSZACIVSA-N 2 2 358.486 3.272 50 0 FGAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000092081516 494784223 /nfs/dbraw/zinc/78/42/23/494784223.db2.gz ARQMMOJMLZJVRM-CQSZACIVSA-N 2 2 358.486 3.272 50 0 FGAALP CCc1cccc(C)c1NC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095517687 494985238 /nfs/dbraw/zinc/98/52/38/494985238.db2.gz JGEOYXUGSWPDSJ-SFHVURJKSA-N 2 2 358.530 3.049 50 0 FGAALP CCc1cccc(C)c1NC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095517687 494985240 /nfs/dbraw/zinc/98/52/40/494985240.db2.gz JGEOYXUGSWPDSJ-SFHVURJKSA-N 2 2 358.530 3.049 50 0 FGAALP c1cn(CCOc2ccc(CN3CCC([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000216222407 496986537 /nfs/dbraw/zinc/98/65/37/496986537.db2.gz JSZUPKXAMHMKBU-UHFFFAOYSA-N 2 2 354.498 3.022 50 0 FGAALP c1cn(CCOc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000216222407 496986539 /nfs/dbraw/zinc/98/65/39/496986539.db2.gz JSZUPKXAMHMKBU-UHFFFAOYSA-N 3 2 354.498 3.022 50 0 FGAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000223003212 497031659 /nfs/dbraw/zinc/03/16/59/497031659.db2.gz KONRPRXBGUPXHA-FQEVSTJZSA-N 2 2 354.498 3.468 50 0 FGAALP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000252498432 497306897 /nfs/dbraw/zinc/30/68/97/497306897.db2.gz RBVRFTZWCAQQDM-UHFFFAOYSA-N 2 2 353.466 3.489 50 0 FGAALP Cc1[nH+]ccn1CCCNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000240499994 497351722 /nfs/dbraw/zinc/35/17/22/497351722.db2.gz NQDMSQJAEBYGOS-LJQANCHMSA-N 2 2 358.461 3.064 50 0 FGAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549204 500288214 /nfs/dbraw/zinc/28/82/14/500288214.db2.gz SIMZTJQRRIEMAN-QFIPXVFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549204 500288220 /nfs/dbraw/zinc/28/82/20/500288220.db2.gz SIMZTJQRRIEMAN-QFIPXVFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549204 500288223 /nfs/dbraw/zinc/28/82/23/500288223.db2.gz SIMZTJQRRIEMAN-QFIPXVFZSA-N 2 2 357.542 3.198 50 0 FGAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549204 500288224 /nfs/dbraw/zinc/28/82/24/500288224.db2.gz SIMZTJQRRIEMAN-QFIPXVFZSA-N 2 2 357.542 3.198 50 0 FGAALP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969742 519909630 /nfs/dbraw/zinc/90/96/30/519909630.db2.gz VEUADMIEZRXZOT-NVXWUHKLSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969742 519909636 /nfs/dbraw/zinc/90/96/36/519909636.db2.gz VEUADMIEZRXZOT-NVXWUHKLSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969742 519909641 /nfs/dbraw/zinc/90/96/41/519909641.db2.gz VEUADMIEZRXZOT-NVXWUHKLSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1nc2ccccc2s1 ZINC000078969742 519909644 /nfs/dbraw/zinc/90/96/44/519909644.db2.gz VEUADMIEZRXZOT-NVXWUHKLSA-N 2 2 374.554 3.311 50 0 FGAALP COCCOc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cn1 ZINC000241231065 524045436 /nfs/dbraw/zinc/04/54/36/524045436.db2.gz KRRGRWKQMQCECU-WIYYLYMNSA-N 2 2 369.509 3.107 50 0 FGAALP COCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cn1 ZINC000241231065 524045439 /nfs/dbraw/zinc/04/54/39/524045439.db2.gz KRRGRWKQMQCECU-WIYYLYMNSA-N 2 2 369.509 3.107 50 0 FGAALP [NH3+][C@H](C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1)C1CCCCC1 ZINC000091547373 527381170 /nfs/dbraw/zinc/38/11/70/527381170.db2.gz CDPYJBXUFXCAGQ-IBGZPJMESA-N 2 2 358.530 3.297 50 0 FGAALP OCc1cccc(C[C@@H]2CC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC000091707078 527636290 /nfs/dbraw/zinc/63/62/90/527636290.db2.gz XTJGBLPFFYWPFG-FQEVSTJZSA-N 2 2 365.521 3.103 50 0 FGAALP OCc1cccc(C[C@@H]2CC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC000091707078 527636293 /nfs/dbraw/zinc/63/62/93/527636293.db2.gz XTJGBLPFFYWPFG-FQEVSTJZSA-N 2 2 365.521 3.103 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000299800778 210039072 /nfs/dbraw/zinc/03/90/72/210039072.db2.gz VUBCXYAGRJYJHU-UHFFFAOYSA-N 2 2 374.916 3.270 50 0 FGAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299785907 210028173 /nfs/dbraw/zinc/02/81/73/210028173.db2.gz OMBWDISCXZAXEP-OTWHNJEPSA-N 2 2 352.482 3.087 50 0 FGAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299785907 210028179 /nfs/dbraw/zinc/02/81/79/210028179.db2.gz OMBWDISCXZAXEP-OTWHNJEPSA-N 2 2 352.482 3.087 50 0 FGAALP Cc1c2ccc(C)cc2oc1C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000020201428 211270724 /nfs/dbraw/zinc/27/07/24/211270724.db2.gz YCJVLDBWSFAQMF-QGZVFWFLSA-N 2 2 369.509 3.338 50 0 FGAALP Cc1c2ccc(C)cc2oc1C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000020201428 211270727 /nfs/dbraw/zinc/27/07/27/211270727.db2.gz YCJVLDBWSFAQMF-QGZVFWFLSA-N 2 2 369.509 3.338 50 0 FGAALP CCc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)[nH+]1 ZINC000095372518 132208943 /nfs/dbraw/zinc/20/89/43/132208943.db2.gz OWTMDLNHODGJCB-OAHLLOKOSA-N 2 2 368.510 3.433 50 0 FGAALP CCCc1cc(N2CCC([NH2+][C@H]3COc4ccccc43)CC2)nc(C)[nH+]1 ZINC000096149927 132220581 /nfs/dbraw/zinc/22/05/81/132220581.db2.gz JOWMJIQJDHGDIU-IBGZPJMESA-N 2 2 352.482 3.430 50 0 FGAALP FC(F)(F)c1ccc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000058174508 136130729 /nfs/dbraw/zinc/13/07/29/136130729.db2.gz SXHQEXIOMXVYAA-UHFFFAOYSA-N 2 2 361.371 3.299 50 0 FGAALP C[C@@H](CCn1cccn1)[NH2+]C1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000063835280 136132950 /nfs/dbraw/zinc/13/29/50/136132950.db2.gz GIUQSTBMXOOMBH-SFHVURJKSA-N 2 2 364.497 3.106 50 0 FGAALP CC(C)C[C@@H](O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000077426867 494081804 /nfs/dbraw/zinc/08/18/04/494081804.db2.gz CDURCNRYHAVQOT-JOCHJYFZSA-N 2 2 360.542 3.138 50 0 FGAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1C1CC1 ZINC000077456138 494087052 /nfs/dbraw/zinc/08/70/52/494087052.db2.gz NTSVFFGXTNJBSN-QFIPXVFZSA-N 2 2 364.493 3.239 50 0 FGAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1C1CC1 ZINC000077456138 494087055 /nfs/dbraw/zinc/08/70/55/494087055.db2.gz NTSVFFGXTNJBSN-QFIPXVFZSA-N 2 2 364.493 3.239 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418958 494168011 /nfs/dbraw/zinc/16/80/11/494168011.db2.gz IUUCAPFNULXHDN-QGZVFWFLSA-N 2 2 373.932 3.444 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072418958 494168017 /nfs/dbraw/zinc/16/80/17/494168017.db2.gz IUUCAPFNULXHDN-QGZVFWFLSA-N 2 2 373.932 3.444 50 0 FGAALP CC(C)(O)CCc1ccc(C[NH+]2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000072480843 494182722 /nfs/dbraw/zinc/18/27/22/494182722.db2.gz CWEKESXYPDDGIP-UHFFFAOYSA-N 2 2 362.583 3.403 50 0 FGAALP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592617 494244885 /nfs/dbraw/zinc/24/48/85/494244885.db2.gz VVPPKPLAXZDAMA-GOSISDBHSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592617 494244889 /nfs/dbraw/zinc/24/48/89/494244889.db2.gz VVPPKPLAXZDAMA-GOSISDBHSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592617 494244894 /nfs/dbraw/zinc/24/48/94/494244894.db2.gz VVPPKPLAXZDAMA-GOSISDBHSA-N 2 2 360.933 3.460 50 0 FGAALP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012592617 494244895 /nfs/dbraw/zinc/24/48/95/494244895.db2.gz VVPPKPLAXZDAMA-GOSISDBHSA-N 2 2 360.933 3.460 50 0 FGAALP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000042897223 494251036 /nfs/dbraw/zinc/25/10/36/494251036.db2.gz POSHAUMJKPDEMF-UHFFFAOYSA-N 2 2 366.469 3.463 50 0 FGAALP CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000092037122 494764541 /nfs/dbraw/zinc/76/45/41/494764541.db2.gz HTGOLXKSAOAFDO-QPGLYAHGSA-N 2 2 366.509 3.425 50 0 FGAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095364105 494964624 /nfs/dbraw/zinc/96/46/24/494964624.db2.gz FHYGHGIJQBTPJC-HXUWFJFHSA-N 2 2 368.525 3.294 50 0 FGAALP CCc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(C)[nH+]1 ZINC000091637105 523792421 /nfs/dbraw/zinc/79/24/21/523792421.db2.gz JZLDWRJCRRUXBP-QGZVFWFLSA-N 2 2 362.481 3.371 50 0 FGAALP O=C(NCCn1cc[nH+]c1)c1ccc([C@H]2CCC[N@@H+]2C2CCCC2)s1 ZINC000020601621 526474032 /nfs/dbraw/zinc/47/40/32/526474032.db2.gz BYUMNNBLMWJPDB-MRXNPFEDSA-N 2 2 358.511 3.454 50 0 FGAALP O=C(NCCn1cc[nH+]c1)c1ccc([C@H]2CCC[N@H+]2C2CCCC2)s1 ZINC000020601621 526474036 /nfs/dbraw/zinc/47/40/36/526474036.db2.gz BYUMNNBLMWJPDB-MRXNPFEDSA-N 2 2 358.511 3.454 50 0 FGAALP c1csc([C@@H]2CCC[N@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000216066465 568103504 /nfs/dbraw/zinc/10/35/04/568103504.db2.gz HPRIWSVUCRMIOT-IBGZPJMESA-N 2 2 373.522 3.191 50 0 FGAALP c1csc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000216066465 568103505 /nfs/dbraw/zinc/10/35/05/568103505.db2.gz HPRIWSVUCRMIOT-IBGZPJMESA-N 2 2 373.522 3.191 50 0 FGAALP CC[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015065919 220144356 /nfs/dbraw/zinc/14/43/56/220144356.db2.gz IXAOQYNSCRIYMO-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP CC[N@H+](Cc1cc[nH]n1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015065919 220144358 /nfs/dbraw/zinc/14/43/58/220144358.db2.gz IXAOQYNSCRIYMO-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP CC[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015065919 220144361 /nfs/dbraw/zinc/14/43/61/220144361.db2.gz IXAOQYNSCRIYMO-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP CC[NH+](Cc1cc[nH]n1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000015065919 220144363 /nfs/dbraw/zinc/14/43/63/220144363.db2.gz IXAOQYNSCRIYMO-IBGZPJMESA-N 2 2 356.514 3.195 50 0 FGAALP C[NH+]1CCC(C[N@@H+]2CCc3[nH]nc(COc4cccc(Cl)c4)c3C2)CC1 ZINC000020867734 220342501 /nfs/dbraw/zinc/34/25/01/220342501.db2.gz IKNMLYMUGZRSQO-UHFFFAOYSA-N 2 2 374.916 3.342 50 0 FGAALP C[NH+]1CCC(C[N@H+]2CCc3[nH]nc(COc4cccc(Cl)c4)c3C2)CC1 ZINC000020867734 220342504 /nfs/dbraw/zinc/34/25/04/220342504.db2.gz IKNMLYMUGZRSQO-UHFFFAOYSA-N 2 2 374.916 3.342 50 0 FGAALP Nc1nc(N2CCCC2)cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)[nH+]1 ZINC000071405661 221346049 /nfs/dbraw/zinc/34/60/49/221346049.db2.gz VADVFHQCNLBHKS-KRWDZBQOSA-N 2 2 367.497 3.106 50 0 FGAALP Cc1cc(N2CCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)CC2)cc(C)[nH+]1 ZINC000077504269 132187339 /nfs/dbraw/zinc/18/73/39/132187339.db2.gz BWLPZOZANSGFTH-UHFFFAOYSA-N 2 2 361.449 3.051 50 0 FGAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(c2cc[nH+]cc2F)CC1 ZINC000091725573 132203374 /nfs/dbraw/zinc/20/33/74/132203374.db2.gz UHNLJMKNWHXJMC-UHFFFAOYSA-N 2 2 372.492 3.109 50 0 FGAALP Cc1nc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)c(C)c(C)[nH+]1 ZINC000091847389 132204601 /nfs/dbraw/zinc/20/46/01/132204601.db2.gz AXTRMJGOVDDHFM-LJQANCHMSA-N 2 2 362.481 3.426 50 0 FGAALP CCc1c(C)[nH+]c(C)nc1N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000095526776 221953788 /nfs/dbraw/zinc/95/37/88/221953788.db2.gz SVZQATOIBDECLZ-VQTJNVASSA-N 2 2 354.498 3.198 50 0 FGAALP Cc1c2ccccc2oc1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000077471886 494089238 /nfs/dbraw/zinc/08/92/38/494089238.db2.gz DDOIJNZHKVJCAL-UHFFFAOYSA-N 2 2 367.497 3.311 50 0 FGAALP Cc1ccc(CN2CC[N@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)cc1C ZINC000072150868 494135863 /nfs/dbraw/zinc/13/58/63/494135863.db2.gz TUJNQBWWMAPKPR-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1ccc(CN2CC[N@@H+](C[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2=O)cc1C ZINC000072150868 494135865 /nfs/dbraw/zinc/13/58/65/494135865.db2.gz TUJNQBWWMAPKPR-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1ccc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)cc1C ZINC000072150868 494135868 /nfs/dbraw/zinc/13/58/68/494135868.db2.gz TUJNQBWWMAPKPR-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP Cc1ccc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1C ZINC000072150868 494135870 /nfs/dbraw/zinc/13/58/70/494135870.db2.gz TUJNQBWWMAPKPR-FCHUYYIVSA-N 2 2 369.553 3.212 50 0 FGAALP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([NH+]3CCC(O)CC3)CC2)c1C ZINC000072408336 494165754 /nfs/dbraw/zinc/16/57/54/494165754.db2.gz BFBPRMZNJKMUBN-UHFFFAOYSA-N 2 2 358.526 3.236 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000072412397 494167018 /nfs/dbraw/zinc/16/70/18/494167018.db2.gz UCCFOXWNRZTROU-SFHVURJKSA-N 2 2 360.461 3.205 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000072412397 494167020 /nfs/dbraw/zinc/16/70/20/494167020.db2.gz UCCFOXWNRZTROU-SFHVURJKSA-N 2 2 360.461 3.205 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000072479960 494182764 /nfs/dbraw/zinc/18/27/64/494182764.db2.gz AOPUNPSANRFRQM-AWEZNQCLSA-N 2 2 365.884 3.049 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000072479960 494182768 /nfs/dbraw/zinc/18/27/68/494182768.db2.gz AOPUNPSANRFRQM-AWEZNQCLSA-N 2 2 365.884 3.049 50 0 FGAALP CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316679 494223615 /nfs/dbraw/zinc/22/36/15/494223615.db2.gz JITFOCCUZDAUPV-OAQYLSRUSA-N 2 2 355.482 3.415 50 0 FGAALP CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316679 494223618 /nfs/dbraw/zinc/22/36/18/494223618.db2.gz JITFOCCUZDAUPV-OAQYLSRUSA-N 2 2 355.482 3.415 50 0 FGAALP COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000091747023 494666834 /nfs/dbraw/zinc/66/68/34/494666834.db2.gz PTUXKUNUUMAIPW-MRXNPFEDSA-N 2 2 356.466 3.094 50 0 FGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000075093184 494687382 /nfs/dbraw/zinc/68/73/82/494687382.db2.gz WWJKAFUEBLYBDV-NQIIRXRSSA-N 2 2 351.494 3.118 50 0 FGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000075093184 494687386 /nfs/dbraw/zinc/68/73/86/494687386.db2.gz WWJKAFUEBLYBDV-NQIIRXRSSA-N 2 2 351.494 3.118 50 0 FGAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091807932 494687330 /nfs/dbraw/zinc/68/73/30/494687330.db2.gz OZZXDJOUCNBXKD-WIYYLYMNSA-N 2 2 364.493 3.209 50 0 FGAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091807932 494687332 /nfs/dbraw/zinc/68/73/32/494687332.db2.gz OZZXDJOUCNBXKD-WIYYLYMNSA-N 2 2 364.493 3.209 50 0 FGAALP Cc1[nH+]ccn1CCC1CCN(C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095372732 494967858 /nfs/dbraw/zinc/96/78/58/494967858.db2.gz DZZQCYWTFKOBJN-HXUWFJFHSA-N 2 2 372.488 3.262 50 0 FGAALP c1cnc2cccc(C[N@@H+]3C[C@H]4CC[C@@H]3C[NH+](C3CCOCC3)C4)c2c1 ZINC000095372182 494967890 /nfs/dbraw/zinc/96/78/90/494967890.db2.gz PKUGDHNSOJJBBK-YLJYHZDGSA-N 2 2 351.494 3.310 50 0 FGAALP c1cnc2cccc(C[N@H+]3C[C@H]4CC[C@@H]3C[NH+](C3CCOCC3)C4)c2c1 ZINC000095372182 494967893 /nfs/dbraw/zinc/96/78/93/494967893.db2.gz PKUGDHNSOJJBBK-YLJYHZDGSA-N 2 2 351.494 3.310 50 0 FGAALP c1cnc2cccc(C[NH+]3C[C@H]4CC[C@@H]3C[N@@H+](C3CCOCC3)C4)c2c1 ZINC000095372182 494967895 /nfs/dbraw/zinc/96/78/95/494967895.db2.gz PKUGDHNSOJJBBK-YLJYHZDGSA-N 2 2 351.494 3.310 50 0 FGAALP c1cnc2cccc(C[NH+]3C[C@H]4CC[C@@H]3C[N@H+](C3CCOCC3)C4)c2c1 ZINC000095372182 494967897 /nfs/dbraw/zinc/96/78/97/494967897.db2.gz PKUGDHNSOJJBBK-YLJYHZDGSA-N 2 2 351.494 3.310 50 0 FGAALP Cc1ccc2[nH+]c(CNC(=O)C[N@@H+]3CCC[C@H](c4ccccc4)C3)cn2c1 ZINC000095384114 494970766 /nfs/dbraw/zinc/97/07/66/494970766.db2.gz DSTXGCQBPDMIAU-IBGZPJMESA-N 2 2 362.477 3.139 50 0 FGAALP Cc1ccc2[nH+]c(CNC(=O)C[N@H+]3CCC[C@H](c4ccccc4)C3)cn2c1 ZINC000095384114 494970769 /nfs/dbraw/zinc/97/07/69/494970769.db2.gz DSTXGCQBPDMIAU-IBGZPJMESA-N 2 2 362.477 3.139 50 0 FGAALP OCc1cccc(C[C@H]2CC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC000091707077 527636710 /nfs/dbraw/zinc/63/67/10/527636710.db2.gz XTJGBLPFFYWPFG-HXUWFJFHSA-N 2 2 365.521 3.103 50 0 FGAALP OCc1cccc(C[C@H]2CC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)c1 ZINC000091707077 527636713 /nfs/dbraw/zinc/63/67/13/527636713.db2.gz XTJGBLPFFYWPFG-HXUWFJFHSA-N 2 2 365.521 3.103 50 0 FGAALP C[N@@H+]1CCCN(C(=O)c2cccc(-c3ccsc3)c2)CC12CC[NH2+]CC2 ZINC000299798913 530053853 /nfs/dbraw/zinc/05/38/53/530053853.db2.gz WJGBAWDGNHYUHV-UHFFFAOYSA-N 2 2 369.534 3.315 50 0 FGAALP C[N@H+]1CCCN(C(=O)c2cccc(-c3ccsc3)c2)CC12CC[NH2+]CC2 ZINC000299798913 530053854 /nfs/dbraw/zinc/05/38/54/530053854.db2.gz WJGBAWDGNHYUHV-UHFFFAOYSA-N 2 2 369.534 3.315 50 0 FGAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccccc1 ZINC000000845904 219329761 /nfs/dbraw/zinc/32/97/61/219329761.db2.gz OZKXFRXCVDFGHE-OAQYLSRUSA-N 2 2 364.493 3.142 50 0 FGAALP OCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055090385 221058632 /nfs/dbraw/zinc/05/86/32/221058632.db2.gz OFRWUJYIVWJENE-OAQYLSRUSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc(F)cc2)C3)o1 ZINC000055090385 221058635 /nfs/dbraw/zinc/05/86/35/221058635.db2.gz OFRWUJYIVWJENE-OAQYLSRUSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055090385 221058637 /nfs/dbraw/zinc/05/86/37/221058637.db2.gz OFRWUJYIVWJENE-OAQYLSRUSA-N 2 2 358.457 3.399 50 0 FGAALP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055090385 221058641 /nfs/dbraw/zinc/05/86/41/221058641.db2.gz OFRWUJYIVWJENE-OAQYLSRUSA-N 2 2 358.457 3.399 50 0 FGAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CC[N@@H+]2CCCC[C@@H]2CO)[nH+]1 ZINC000065462033 221222068 /nfs/dbraw/zinc/22/20/68/221222068.db2.gz IIGIVEWEIKAUNS-GOSISDBHSA-N 2 2 365.481 3.095 50 0 FGAALP Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCCC[C@@H]2CO)[nH+]1 ZINC000065462033 221222071 /nfs/dbraw/zinc/22/20/71/221222071.db2.gz IIGIVEWEIKAUNS-GOSISDBHSA-N 2 2 365.481 3.095 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071711967 221355246 /nfs/dbraw/zinc/35/52/46/221355246.db2.gz VACHMWHUEWCCDN-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071711967 221355250 /nfs/dbraw/zinc/35/52/50/221355250.db2.gz VACHMWHUEWCCDN-GOSISDBHSA-N 2 2 373.516 3.089 50 0 FGAALP O[C@@H](C[N@@H+]1CCC[C@@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095347327 132206702 /nfs/dbraw/zinc/20/67/02/132206702.db2.gz DPKIVYBMKBAMHM-WOJBJXKFSA-N 2 2 371.550 3.068 50 0 FGAALP O[C@@H](C[N@H+]1CCC[C@@H]1c1cccs1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000095347327 132206703 /nfs/dbraw/zinc/20/67/03/132206703.db2.gz DPKIVYBMKBAMHM-WOJBJXKFSA-N 2 2 371.550 3.068 50 0 FGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000107068692 222390241 /nfs/dbraw/zinc/39/02/41/222390241.db2.gz WWJKAFUEBLYBDV-WIYYLYMNSA-N 2 2 351.494 3.118 50 0 FGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C1 ZINC000107068692 222390245 /nfs/dbraw/zinc/39/02/45/222390245.db2.gz WWJKAFUEBLYBDV-WIYYLYMNSA-N 2 2 351.494 3.118 50 0 FGAALP C[NH+](C)CCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003339712 493838594 /nfs/dbraw/zinc/83/85/94/493838594.db2.gz CXNWAZDSEBNDET-UHFFFAOYSA-N 2 2 373.884 3.051 50 0 FGAALP O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077392437 494074446 /nfs/dbraw/zinc/07/44/46/494074446.db2.gz FIPYJSGPYLPGKP-LJQANCHMSA-N 2 2 352.482 3.239 50 0 FGAALP O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077392437 494074451 /nfs/dbraw/zinc/07/44/51/494074451.db2.gz FIPYJSGPYLPGKP-LJQANCHMSA-N 2 2 352.482 3.239 50 0 FGAALP OC1CC[NH+](C2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)CC1 ZINC000072439889 494175106 /nfs/dbraw/zinc/17/51/06/494175106.db2.gz OLSBIYQXRNKGQC-UHFFFAOYSA-N 2 2 351.494 3.170 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000095354205 494961402 /nfs/dbraw/zinc/96/14/02/494961402.db2.gz OUCIMJRSJSZPRC-HNNXBMFYSA-N 2 2 351.454 3.378 50 0 FGAALP Cc1ccccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095364289 494964267 /nfs/dbraw/zinc/96/42/67/494964267.db2.gz HEXWJMPBPWESRW-UHFFFAOYSA-N 2 2 354.498 3.163 50 0 FGAALP Cc1[nH+]c2cc(CNC(=O)[C@H]3CCC[N@@H+](C4CCCC4)C3)ccc2n1C ZINC000095368426 494966321 /nfs/dbraw/zinc/96/63/21/494966321.db2.gz IEPXTGLQCLIXNG-KRWDZBQOSA-N 2 2 354.498 3.153 50 0 FGAALP Cc1[nH+]c2cc(CNC(=O)[C@H]3CCC[N@H+](C4CCCC4)C3)ccc2n1C ZINC000095368426 494966323 /nfs/dbraw/zinc/96/63/23/494966323.db2.gz IEPXTGLQCLIXNG-KRWDZBQOSA-N 2 2 354.498 3.153 50 0 FGAALP Cc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095372545 494967414 /nfs/dbraw/zinc/96/74/14/494967414.db2.gz QVMQROUUGTXSLG-LJQANCHMSA-N 2 2 368.525 3.471 50 0 FGAALP Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1 ZINC000095386215 494971926 /nfs/dbraw/zinc/97/19/26/494971926.db2.gz FSPFBKWEFKRCJH-HXUWFJFHSA-N 2 2 368.525 3.092 50 0 FGAALP CCc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)on1 ZINC000095387175 494972253 /nfs/dbraw/zinc/97/22/53/494972253.db2.gz HMDJBNUYHLZIMI-CQSZACIVSA-N 2 2 357.483 3.318 50 0 FGAALP CCc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)on1 ZINC000095387175 494972254 /nfs/dbraw/zinc/97/22/54/494972254.db2.gz HMDJBNUYHLZIMI-CQSZACIVSA-N 2 2 357.483 3.318 50 0 FGAALP C[NH+](C)Cc1csc(C[N@@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)c1 ZINC000218810216 497005643 /nfs/dbraw/zinc/00/56/43/497005643.db2.gz CWOXMPWCFVEJRJ-HXUWFJFHSA-N 2 2 374.554 3.246 50 0 FGAALP C[NH+](C)Cc1csc(C[N@H+]2CCCn3nc([C@H](O)C4CCC4)cc3C2)c1 ZINC000218810216 497005648 /nfs/dbraw/zinc/00/56/48/497005648.db2.gz CWOXMPWCFVEJRJ-HXUWFJFHSA-N 2 2 374.554 3.246 50 0 FGAALP CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000219894909 497011790 /nfs/dbraw/zinc/01/17/90/497011790.db2.gz DMJVSXVWGIXWQB-SFTDATJTSA-N 2 2 371.569 3.325 50 0 FGAALP CN1CC[NH+](CCOc2ccccc2C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000219894909 497011796 /nfs/dbraw/zinc/01/17/96/497011796.db2.gz DMJVSXVWGIXWQB-SFTDATJTSA-N 2 2 371.569 3.325 50 0 FGAALP CCc1c[nH+]c(C)nc1NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000082125659 522002173 /nfs/dbraw/zinc/00/21/73/522002173.db2.gz MMLCQWVOIMVEDE-UHFFFAOYSA-N 2 2 354.502 3.304 50 0 FGAALP CCc1c[nH+]c(C)nc1NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082125659 522002178 /nfs/dbraw/zinc/00/21/78/522002178.db2.gz MMLCQWVOIMVEDE-UHFFFAOYSA-N 2 2 354.502 3.304 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299803095 528742644 /nfs/dbraw/zinc/74/26/44/528742644.db2.gz WKFBVUZRZCTJRG-HBMCJLEFSA-N 2 2 366.509 3.381 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299803095 528742650 /nfs/dbraw/zinc/74/26/50/528742650.db2.gz WKFBVUZRZCTJRG-HBMCJLEFSA-N 2 2 366.509 3.381 50 0 FGAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299767401 528867919 /nfs/dbraw/zinc/86/79/19/528867919.db2.gz KOSXEJUJQZRSMY-OTWHNJEPSA-N 2 2 352.482 3.135 50 0 FGAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299767401 528867922 /nfs/dbraw/zinc/86/79/22/528867922.db2.gz KOSXEJUJQZRSMY-OTWHNJEPSA-N 2 2 352.482 3.135 50 0 FGAALP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cnn1C ZINC000012581509 220009334 /nfs/dbraw/zinc/00/93/34/220009334.db2.gz LROYGVXLTUCVDZ-SFHVURJKSA-N 2 2 358.505 3.254 50 0 FGAALP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cnn1C ZINC000012581509 220009336 /nfs/dbraw/zinc/00/93/36/220009336.db2.gz LROYGVXLTUCVDZ-SFHVURJKSA-N 2 2 358.505 3.254 50 0 FGAALP Cc1c(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cnn1C ZINC000012581509 220009339 /nfs/dbraw/zinc/00/93/39/220009339.db2.gz LROYGVXLTUCVDZ-SFHVURJKSA-N 2 2 358.505 3.254 50 0 FGAALP Cc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cnn1C ZINC000012581509 220009341 /nfs/dbraw/zinc/00/93/41/220009341.db2.gz LROYGVXLTUCVDZ-SFHVURJKSA-N 2 2 358.505 3.254 50 0 FGAALP O[C@H]1[C@H](n2cc[nH+]c2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000020117959 220314029 /nfs/dbraw/zinc/31/40/29/220314029.db2.gz AQHPREWWRDSCSJ-UXHICEINSA-N 2 2 365.502 3.442 50 0 FGAALP CC(C)(C)C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020906502 220344654 /nfs/dbraw/zinc/34/46/54/220344654.db2.gz KESKYWZFDJKPME-LJQANCHMSA-N 2 2 373.541 3.043 50 0 FGAALP CC(C)(C)C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020906502 220344659 /nfs/dbraw/zinc/34/46/59/220344659.db2.gz KESKYWZFDJKPME-LJQANCHMSA-N 2 2 373.541 3.043 50 0 FGAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccccn3)C2)cc1 ZINC000055100373 221058322 /nfs/dbraw/zinc/05/83/22/221058322.db2.gz XXQXOAJGWAFVJL-HXUWFJFHSA-N 2 2 353.510 3.477 50 0 FGAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccccn3)C2)cc1 ZINC000055100373 221058327 /nfs/dbraw/zinc/05/83/27/221058327.db2.gz XXQXOAJGWAFVJL-HXUWFJFHSA-N 2 2 353.510 3.477 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccccn3)C2)cc1 ZINC000055100373 221058329 /nfs/dbraw/zinc/05/83/29/221058329.db2.gz XXQXOAJGWAFVJL-HXUWFJFHSA-N 2 2 353.510 3.477 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccccn3)C2)cc1 ZINC000055100373 221058333 /nfs/dbraw/zinc/05/83/33/221058333.db2.gz XXQXOAJGWAFVJL-HXUWFJFHSA-N 2 2 353.510 3.477 50 0 FGAALP c1cn(CCC[N@H+](Cc2cccnc2)Cc2cnc3ccccc3n2)c[nH+]1 ZINC000063872472 221144565 /nfs/dbraw/zinc/14/45/65/221144565.db2.gz VTPQUXCEIVBYML-UHFFFAOYSA-N 2 2 358.449 3.314 50 0 FGAALP c1cn(CCC[N@@H+](Cc2cccnc2)Cc2cnc3ccccc3n2)c[nH+]1 ZINC000063872472 221144567 /nfs/dbraw/zinc/14/45/67/221144567.db2.gz VTPQUXCEIVBYML-UHFFFAOYSA-N 2 2 358.449 3.314 50 0 FGAALP CCCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747729 221359369 /nfs/dbraw/zinc/35/93/69/221359369.db2.gz GKZHBYURIJEJOT-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP CCCN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747729 221359370 /nfs/dbraw/zinc/35/93/70/221359370.db2.gz GKZHBYURIJEJOT-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCCCC1 ZINC000053216085 257346541 /nfs/dbraw/zinc/34/65/41/257346541.db2.gz FAKCARSVPIKEMS-UHFFFAOYSA-N 2 2 372.900 3.023 50 0 FGAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000004109091 132386435 /nfs/dbraw/zinc/38/64/35/132386435.db2.gz YBIJGABZRQSHOQ-UHFFFAOYSA-N 2 2 355.482 3.075 50 0 FGAALP Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000097117177 222162296 /nfs/dbraw/zinc/16/22/96/222162296.db2.gz MMRYJTFZUNOWAZ-MRXNPFEDSA-N 2 2 364.921 3.140 50 0 FGAALP Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000097117177 222162300 /nfs/dbraw/zinc/16/23/00/222162300.db2.gz MMRYJTFZUNOWAZ-MRXNPFEDSA-N 2 2 364.921 3.140 50 0 FGAALP COc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1C[NH+]1CCCC1 ZINC000097637837 222201066 /nfs/dbraw/zinc/20/10/66/222201066.db2.gz HVVKLKZMBGKWDH-UHFFFAOYSA-N 3 2 368.525 3.400 50 0 FGAALP CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000037976762 494110791 /nfs/dbraw/zinc/11/07/91/494110791.db2.gz DNCWVGHGQAMRJF-UHFFFAOYSA-N 2 2 357.292 3.040 50 0 FGAALP C[NH+](C)Cc1cc2n(n1)CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC000072137418 494132067 /nfs/dbraw/zinc/13/20/67/494132067.db2.gz BTMAPWWBGZJSJB-UHFFFAOYSA-N 2 2 368.403 3.249 50 0 FGAALP C[NH+](C)Cc1cc2n(n1)CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC000072137418 494132073 /nfs/dbraw/zinc/13/20/73/494132073.db2.gz BTMAPWWBGZJSJB-UHFFFAOYSA-N 2 2 368.403 3.249 50 0 FGAALP Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072476999 494181214 /nfs/dbraw/zinc/18/12/14/494181214.db2.gz HKBRVAJCIDZTQU-FQEVSTJZSA-N 2 2 367.541 3.489 50 0 FGAALP Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072476999 494181216 /nfs/dbraw/zinc/18/12/16/494181216.db2.gz HKBRVAJCIDZTQU-FQEVSTJZSA-N 2 2 367.541 3.489 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072477316 494181560 /nfs/dbraw/zinc/18/15/60/494181560.db2.gz CCHHQVLXGJCPAD-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072477316 494181562 /nfs/dbraw/zinc/18/15/62/494181562.db2.gz CCHHQVLXGJCPAD-GOSISDBHSA-N 2 2 371.504 3.320 50 0 FGAALP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012548300 494240540 /nfs/dbraw/zinc/24/05/40/494240540.db2.gz DZKFYTXGNDSTCQ-GOSISDBHSA-N 2 2 366.465 3.145 50 0 FGAALP Clc1cccnc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000172562317 496341324 /nfs/dbraw/zinc/34/13/24/496341324.db2.gz GKRQDCBQIPEVQM-UHFFFAOYSA-N 2 2 353.857 3.243 50 0 FGAALP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000216308720 496987715 /nfs/dbraw/zinc/98/77/15/496987715.db2.gz QTHHBIGRRZWFOI-JOCHJYFZSA-N 2 2 363.461 3.056 50 0 FGAALP O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000216308720 496987719 /nfs/dbraw/zinc/98/77/19/496987719.db2.gz QTHHBIGRRZWFOI-JOCHJYFZSA-N 2 2 363.461 3.056 50 0 FGAALP Cn1c2ccccc2[nH+]c1CCNc1cc(C2CC([NH3+])C2)nc(C2CC2)n1 ZINC000219954995 497012565 /nfs/dbraw/zinc/01/25/65/497012565.db2.gz DLDQCNPKGGGTGW-UHFFFAOYSA-N 2 2 362.481 3.100 50 0 FGAALP Cc1csc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)n1 ZINC000244748833 497370503 /nfs/dbraw/zinc/37/05/03/497370503.db2.gz OPFUYSPKWLZQLS-CQSZACIVSA-N 2 2 361.515 3.436 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000244874374 497373427 /nfs/dbraw/zinc/37/34/27/497373427.db2.gz XAEIAKXLMQTYBM-HXUWFJFHSA-N 2 2 354.498 3.210 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000244874374 497373430 /nfs/dbraw/zinc/37/34/30/497373430.db2.gz XAEIAKXLMQTYBM-HXUWFJFHSA-N 2 2 354.498 3.210 50 0 FGAALP CCCN(Cc1[nH+]ccn1C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000426618346 500295534 /nfs/dbraw/zinc/29/55/34/500295534.db2.gz NWGUANFCMOUOKA-UHFFFAOYSA-N 2 2 366.469 3.036 50 0 FGAALP Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426746130 500314679 /nfs/dbraw/zinc/31/46/79/500314679.db2.gz ROEOFBZOTYSJKS-GOSISDBHSA-N 2 2 370.472 3.140 50 0 FGAALP Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426746130 500314681 /nfs/dbraw/zinc/31/46/81/500314681.db2.gz ROEOFBZOTYSJKS-GOSISDBHSA-N 2 2 370.472 3.140 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745965 221358655 /nfs/dbraw/zinc/35/86/55/221358655.db2.gz DJZSALPNNVNJCJ-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1F ZINC000071745965 221358658 /nfs/dbraw/zinc/35/86/58/221358658.db2.gz DJZSALPNNVNJCJ-SFHVURJKSA-N 2 2 373.516 3.089 50 0 FGAALP CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C(C)C ZINC000071765075 221371091 /nfs/dbraw/zinc/37/10/91/221371091.db2.gz NHWQRXOZPTWVMS-FQEVSTJZSA-N 2 2 372.557 3.015 50 0 FGAALP CCN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)C(C)C ZINC000071765075 221371097 /nfs/dbraw/zinc/37/10/97/221371097.db2.gz NHWQRXOZPTWVMS-FQEVSTJZSA-N 2 2 372.557 3.015 50 0 FGAALP CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071775474 221375653 /nfs/dbraw/zinc/37/56/53/221375653.db2.gz SFIOBVCQSBFJTG-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP CCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071775474 221375654 /nfs/dbraw/zinc/37/56/54/221375654.db2.gz SFIOBVCQSBFJTG-FQEVSTJZSA-N 2 2 372.557 3.017 50 0 FGAALP CCc1[nH]c2ccc(NC(=O)NC[C@H](c3ccc(C)o3)[NH+](C)C)cc2[nH+]1 ZINC000096180879 222069713 /nfs/dbraw/zinc/06/97/13/222069713.db2.gz FHKKNXJMJQVTEU-MRXNPFEDSA-N 2 2 355.442 3.451 50 0 FGAALP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000076046880 493812494 /nfs/dbraw/zinc/81/24/94/493812494.db2.gz RDTZQVNBGNDWMR-GFCCVEGCSA-N 2 2 374.312 3.021 50 0 FGAALP Cc1cn2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)ccc2[nH+]1 ZINC000082106926 493978124 /nfs/dbraw/zinc/97/81/24/493978124.db2.gz YQOOQMTZCXTQFT-UHFFFAOYSA-N 2 2 366.440 3.130 50 0 FGAALP Cc1cn2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)ccc2[nH+]1 ZINC000082106926 493978127 /nfs/dbraw/zinc/97/81/27/493978127.db2.gz YQOOQMTZCXTQFT-UHFFFAOYSA-N 2 2 366.440 3.130 50 0 FGAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1C1CC1 ZINC000077456142 494087706 /nfs/dbraw/zinc/08/77/06/494087706.db2.gz NTSVFFGXTNJBSN-JOCHJYFZSA-N 2 2 364.493 3.239 50 0 FGAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)CN1C1CC1 ZINC000077456142 494087711 /nfs/dbraw/zinc/08/77/11/494087711.db2.gz NTSVFFGXTNJBSN-JOCHJYFZSA-N 2 2 364.493 3.239 50 0 FGAALP C[NH+]1CCC([N@H+](Cc2ccncc2)Cc2ccccc2-n2cccn2)CC1 ZINC000072169263 494143169 /nfs/dbraw/zinc/14/31/69/494143169.db2.gz JLMNOYRLUKBNQS-UHFFFAOYSA-N 2 2 361.493 3.364 50 0 FGAALP C[NH+]1CCC([N@@H+](Cc2ccncc2)Cc2ccccc2-n2cccn2)CC1 ZINC000072169263 494143170 /nfs/dbraw/zinc/14/31/70/494143170.db2.gz JLMNOYRLUKBNQS-UHFFFAOYSA-N 2 2 361.493 3.364 50 0 FGAALP CCN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011664073 494185228 /nfs/dbraw/zinc/18/52/28/494185228.db2.gz DEKXUXIFEDQNJB-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CCN(Cc1[nH]cc[nH+]1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011664073 494185232 /nfs/dbraw/zinc/18/52/32/494185232.db2.gz DEKXUXIFEDQNJB-LJQANCHMSA-N 2 2 356.514 3.195 50 0 FGAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000091452304 494600744 /nfs/dbraw/zinc/60/07/44/494600744.db2.gz RJCOSNFGZJGCSU-ONEGZZNKSA-N 2 2 354.473 3.431 50 0 FGAALP OC[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH+]1CCCCC1 ZINC000091476784 494607432 /nfs/dbraw/zinc/60/74/32/494607432.db2.gz GJFLDXRJNYXIKQ-IAGOWNOFSA-N 2 2 356.432 3.232 50 0 FGAALP OC[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1C[NH+]1CCCCC1 ZINC000091476784 494607436 /nfs/dbraw/zinc/60/74/36/494607436.db2.gz GJFLDXRJNYXIKQ-IAGOWNOFSA-N 2 2 356.432 3.232 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000095353624 494961436 /nfs/dbraw/zinc/96/14/36/494961436.db2.gz XGKGXCHKHGHMOE-HXUWFJFHSA-N 2 2 366.440 3.239 50 0 FGAALP Cc1cc(C)c(C[N@@H+]2CCOC3(CCCC3)C2)cc1C[NH+]1CCN(C)CC1 ZINC000215065856 496977671 /nfs/dbraw/zinc/97/76/71/496977671.db2.gz XZLUZVASUKCDIN-UHFFFAOYSA-N 2 2 371.569 3.196 50 0 FGAALP Cc1cc(C)c(C[N@H+]2CCOC3(CCCC3)C2)cc1C[NH+]1CCN(C)CC1 ZINC000215065856 496977674 /nfs/dbraw/zinc/97/76/74/496977674.db2.gz XZLUZVASUKCDIN-UHFFFAOYSA-N 2 2 371.569 3.196 50 0 FGAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000223003270 497031540 /nfs/dbraw/zinc/03/15/40/497031540.db2.gz KONRPRXBGUPXHA-HXUWFJFHSA-N 2 2 354.498 3.468 50 0 FGAALP Cc1[nH+]ccn1CCCNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000240499993 497351054 /nfs/dbraw/zinc/35/10/54/497351054.db2.gz NQDMSQJAEBYGOS-IBGZPJMESA-N 2 2 358.461 3.064 50 0 FGAALP C[C@@H](O)c1cccc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)[nH+]1 ZINC000091656232 525868962 /nfs/dbraw/zinc/86/89/62/525868962.db2.gz XGMGFUNMXQVYKF-CQSZACIVSA-N 2 2 369.494 3.220 50 0 FGAALP Cc1[nH+]ccn1CCCC(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091452103 527393024 /nfs/dbraw/zinc/39/30/24/527393024.db2.gz ZCQXKQCPKPTUBG-UHFFFAOYSA-N 2 2 369.513 3.375 50 0 FGAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000952985513 762539751 /nfs/dbraw/zinc/53/97/51/762539751.db2.gz HPPLAOQGXROQQT-INIZCTEOSA-N 2 2 356.813 3.364 50 0 FGAALP CCCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Br ZINC000020967470 220346466 /nfs/dbraw/zinc/34/64/66/220346466.db2.gz VDQAEXVEBXSQQH-UHFFFAOYSA-N 2 2 371.319 3.050 50 0 FGAALP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000058166277 221101747 /nfs/dbraw/zinc/10/17/47/221101747.db2.gz BSHUTRXVVAOAEF-HXUWFJFHSA-N 2 2 372.509 3.019 50 0 FGAALP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000058166277 221101749 /nfs/dbraw/zinc/10/17/49/221101749.db2.gz BSHUTRXVVAOAEF-HXUWFJFHSA-N 2 2 372.509 3.019 50 0 FGAALP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000058166277 221101751 /nfs/dbraw/zinc/10/17/51/221101751.db2.gz BSHUTRXVVAOAEF-HXUWFJFHSA-N 2 2 372.509 3.019 50 0 FGAALP CC[NH+](Cc1ccc(OC)c(OC)c1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000058166277 221101753 /nfs/dbraw/zinc/10/17/53/221101753.db2.gz BSHUTRXVVAOAEF-HXUWFJFHSA-N 2 2 372.509 3.019 50 0 FGAALP CC(=O)c1ccc(NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057435039 221089112 /nfs/dbraw/zinc/08/91/12/221089112.db2.gz LDEOLGPRMOSZLM-UHFFFAOYSA-N 2 2 365.477 3.082 50 0 FGAALP CNc1nc(NCc2ccc[nH+]c2N2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000067841932 221292133 /nfs/dbraw/zinc/29/21/33/221292133.db2.gz JYSDJUOKFAFBDE-UHFFFAOYSA-N 2 2 360.465 3.397 50 0 FGAALP CCC[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1[nH+]ccn1C ZINC000067967478 221310716 /nfs/dbraw/zinc/31/07/16/221310716.db2.gz QYQJFPLFRDGTTO-QGZVFWFLSA-N 2 2 362.481 3.476 50 0 FGAALP FC(F)(F)c1cnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000095462335 132211173 /nfs/dbraw/zinc/21/11/73/132211173.db2.gz KLHILGAKWIEUTR-UHFFFAOYSA-N 2 2 373.810 3.163 50 0 FGAALP Cc1ccccc1-c1ncc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000097743146 132230977 /nfs/dbraw/zinc/23/09/77/132230977.db2.gz WMKXENJEJGJINE-UHFFFAOYSA-N 2 2 359.477 3.478 50 0 FGAALP Cc1cccn2c(=O)cc(C[NH+]3CCC(c4[nH+]ccn4C(C)C)CC3)nc12 ZINC000091893960 221811209 /nfs/dbraw/zinc/81/12/09/221811209.db2.gz DBLKFTKWHINGPT-UHFFFAOYSA-N 2 2 365.481 3.160 50 0 FGAALP Cc1ccccc1C[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000096165712 222064558 /nfs/dbraw/zinc/06/45/58/222064558.db2.gz XERRTUIMUUDLNA-UHFFFAOYSA-N 2 2 367.541 3.489 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000096318719 222115374 /nfs/dbraw/zinc/11/53/74/222115374.db2.gz RHIGJUSYCBQIMN-UHFFFAOYSA-N 2 2 368.452 3.229 50 0 FGAALP Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000097117180 222161990 /nfs/dbraw/zinc/16/19/90/222161990.db2.gz MMRYJTFZUNOWAZ-INIZCTEOSA-N 2 2 364.921 3.140 50 0 FGAALP Cc1cc(Cl)ccc1NC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000097117180 222161994 /nfs/dbraw/zinc/16/19/94/222161994.db2.gz MMRYJTFZUNOWAZ-INIZCTEOSA-N 2 2 364.921 3.140 50 0 FGAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101374038 222271222 /nfs/dbraw/zinc/27/12/22/222271222.db2.gz UCJXUHSKMQQRFI-GOSISDBHSA-N 2 2 368.477 3.321 50 0 FGAALP OCC[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428320 493791070 /nfs/dbraw/zinc/79/10/70/493791070.db2.gz RPPIPKKMWZCUKL-UHFFFAOYSA-N 2 2 357.885 3.015 50 0 FGAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000077437109 494082755 /nfs/dbraw/zinc/08/27/55/494082755.db2.gz QDCBIUNUOBGBJE-HXUWFJFHSA-N 2 2 357.523 3.233 50 0 FGAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000077437109 494082760 /nfs/dbraw/zinc/08/27/60/494082760.db2.gz QDCBIUNUOBGBJE-HXUWFJFHSA-N 2 2 357.523 3.233 50 0 FGAALP CC[C@@H]1CN(Cc2ccccc2OCCn2cc[nH+]c2)CC[N@@H+]1C(C)C ZINC000072143169 494133327 /nfs/dbraw/zinc/13/33/27/494133327.db2.gz HCCHMFKZSKBGDL-HXUWFJFHSA-N 2 2 356.514 3.267 50 0 FGAALP CC[C@@H]1CN(Cc2ccccc2OCCn2cc[nH+]c2)CC[N@H+]1C(C)C ZINC000072143169 494133330 /nfs/dbraw/zinc/13/33/30/494133330.db2.gz HCCHMFKZSKBGDL-HXUWFJFHSA-N 2 2 356.514 3.267 50 0 FGAALP Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)o2)n1C ZINC000072173806 494143100 /nfs/dbraw/zinc/14/31/00/494143100.db2.gz UALRCBZYSNWNBD-KRWDZBQOSA-N 2 2 357.502 3.224 50 0 FGAALP Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)o2)n1C ZINC000072173806 494143104 /nfs/dbraw/zinc/14/31/04/494143104.db2.gz UALRCBZYSNWNBD-KRWDZBQOSA-N 2 2 357.502 3.224 50 0 FGAALP Cc1ccc(-c2[nH+]ccn2C[C@H]2CCC[N@H+](CCO)C2)c2cccnc12 ZINC000072425315 494170123 /nfs/dbraw/zinc/17/01/23/494170123.db2.gz DAEOVXMFNXMCKJ-KRWDZBQOSA-N 2 2 350.466 3.111 50 0 FGAALP Cc1ccc(-c2[nH+]ccn2C[C@H]2CCC[N@@H+](CCO)C2)c2cccnc12 ZINC000072425315 494170126 /nfs/dbraw/zinc/17/01/26/494170126.db2.gz DAEOVXMFNXMCKJ-KRWDZBQOSA-N 2 2 350.466 3.111 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000072435350 494175165 /nfs/dbraw/zinc/17/51/65/494175165.db2.gz SNKLGYQVOYQGIB-WUTDNEBXSA-N 2 2 365.525 3.304 50 0 FGAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000072435350 494175166 /nfs/dbraw/zinc/17/51/66/494175166.db2.gz SNKLGYQVOYQGIB-WUTDNEBXSA-N 2 2 365.525 3.304 50 0 FGAALP CCCCc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC([NH+](C)C)CC3)c2)n1 ZINC000023505008 494569270 /nfs/dbraw/zinc/56/92/70/494569270.db2.gz LIBGMLGFJPHUDS-UHFFFAOYSA-N 2 2 368.525 3.306 50 0 FGAALP Cc1ccsc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095379463 494970100 /nfs/dbraw/zinc/97/01/00/494970100.db2.gz XGYDMGHATFXHLR-UHFFFAOYSA-N 2 2 360.527 3.225 50 0 FGAALP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000095444364 494974678 /nfs/dbraw/zinc/97/46/78/494974678.db2.gz NTDFOFIFNABKBU-NRSPTQNISA-N 2 2 356.510 3.207 50 0 FGAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccnc3)no2)cc1 ZINC000095462677 494977067 /nfs/dbraw/zinc/97/70/67/494977067.db2.gz YQUZFFXNZZTKCY-CQSZACIVSA-N 2 2 360.421 3.477 50 0 FGAALP Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000575558658 505981128 /nfs/dbraw/zinc/98/11/28/505981128.db2.gz RNLXBDGMSAZOIW-FQEVSTJZSA-N 2 2 366.509 3.382 50 0 FGAALP Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000575558658 505981131 /nfs/dbraw/zinc/98/11/31/505981131.db2.gz RNLXBDGMSAZOIW-FQEVSTJZSA-N 2 2 366.509 3.382 50 0 FGAALP CN(CCC[NH+](C)C)C(=O)c1cccc(-c2ccc3c[nH+]c(N)cc3c2)c1 ZINC000534674466 504212463 /nfs/dbraw/zinc/21/24/63/504212463.db2.gz BQKKUQRYXLRUMP-UHFFFAOYSA-N 2 2 362.477 3.338 50 0 FGAALP CCCCc1[nH]c(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)c[nH+]1 ZINC000020600703 521293527 /nfs/dbraw/zinc/29/35/27/521293527.db2.gz YKDPVVAAJNFKEE-FQEVSTJZSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]c(CN2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)c[nH+]1 ZINC000020600703 521293534 /nfs/dbraw/zinc/29/35/34/521293534.db2.gz YKDPVVAAJNFKEE-FQEVSTJZSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)[nH+]1 ZINC000020600703 521293535 /nfs/dbraw/zinc/29/35/35/521293535.db2.gz YKDPVVAAJNFKEE-FQEVSTJZSA-N 2 2 355.530 3.286 50 0 FGAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)[nH+]1 ZINC000020600703 521293546 /nfs/dbraw/zinc/29/35/46/521293546.db2.gz YKDPVVAAJNFKEE-FQEVSTJZSA-N 2 2 355.530 3.286 50 0 FGAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000095511938 535437500 /nfs/dbraw/zinc/43/75/00/535437500.db2.gz KULVDEOBPOKCER-FQEVSTJZSA-N 2 2 354.498 3.030 50 0 FGAALP Cc1ccc(Cn2nc(C[NH2+]CCC[NH+](C)C)c(-c3ccccc3)n2)cc1 ZINC000261491649 223075109 /nfs/dbraw/zinc/07/51/09/223075109.db2.gz BBTKYRNPANOOPA-UHFFFAOYSA-N 2 2 363.509 3.343 50 0 FGAALP COCCC[N@H+](Cc1cnc(-c2cccc(C)c2)nc1)C1CC[NH+](C)CC1 ZINC000055360811 221067356 /nfs/dbraw/zinc/06/73/56/221067356.db2.gz LHKHJKLDTCWCFM-UHFFFAOYSA-N 2 2 368.525 3.385 50 0 FGAALP COCCC[N@@H+](Cc1cnc(-c2cccc(C)c2)nc1)C1CC[NH+](C)CC1 ZINC000055360811 221067359 /nfs/dbraw/zinc/06/73/59/221067359.db2.gz LHKHJKLDTCWCFM-UHFFFAOYSA-N 2 2 368.525 3.385 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000067856455 221296582 /nfs/dbraw/zinc/29/65/82/221296582.db2.gz UUNZNJWEIHDWMM-HNNXBMFYSA-N 2 2 369.387 3.218 50 0 FGAALP Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000067856455 221296583 /nfs/dbraw/zinc/29/65/83/221296583.db2.gz UUNZNJWEIHDWMM-HNNXBMFYSA-N 2 2 369.387 3.218 50 0 FGAALP C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC(C)(C)[NH+]1CCOCC1 ZINC000071708082 221355848 /nfs/dbraw/zinc/35/58/48/221355848.db2.gz ZOSWONZEIRTQDL-MRXNPFEDSA-N 2 2 371.481 3.069 50 0 FGAALP CCCc1nc(N2CCC([NH2+][C@H](C)c3nncn3C(C)C)CC2)cc(C)[nH+]1 ZINC000095516719 132213501 /nfs/dbraw/zinc/21/35/01/132213501.db2.gz PLFRXRNDVXZIRS-MRXNPFEDSA-N 2 2 371.533 3.230 50 0 FGAALP O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097425024 222180440 /nfs/dbraw/zinc/18/04/40/222180440.db2.gz INHGHOPTNUWMNA-UHFFFAOYSA-N 2 2 374.488 3.482 50 0 FGAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000077341570 494062033 /nfs/dbraw/zinc/06/20/33/494062033.db2.gz HAKFCLZZAPILAL-UHFFFAOYSA-N 2 2 365.884 3.049 50 0 FGAALP CCc1nc(C)sc1C[N@@H+]1CCCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072170289 494142853 /nfs/dbraw/zinc/14/28/53/494142853.db2.gz CZHCUTANYFZZFW-UHFFFAOYSA-N 2 2 359.543 3.212 50 0 FGAALP CCc1nc(C)sc1C[N@H+]1CCCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072170289 494142854 /nfs/dbraw/zinc/14/28/54/494142854.db2.gz CZHCUTANYFZZFW-UHFFFAOYSA-N 2 2 359.543 3.212 50 0 FGAALP Cc1cccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)c1 ZINC000040719504 494145945 /nfs/dbraw/zinc/14/59/45/494145945.db2.gz GLMSTAZRGQFNBC-UHFFFAOYSA-N 2 2 354.494 3.386 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072440339 494175178 /nfs/dbraw/zinc/17/51/78/494175178.db2.gz DXDKTLYTDUMRPO-LJQANCHMSA-N 2 2 353.514 3.181 50 0 FGAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072440339 494175180 /nfs/dbraw/zinc/17/51/80/494175180.db2.gz DXDKTLYTDUMRPO-LJQANCHMSA-N 2 2 353.514 3.181 50 0 FGAALP CNc1nc(N[C@H]2CCC[N@H+](Cc3cccc(OC)c3)C2)[nH+]c2c1CCC2 ZINC000072473553 494178884 /nfs/dbraw/zinc/17/88/84/494178884.db2.gz GKTFFVIRIWAODJ-INIZCTEOSA-N 2 2 367.497 3.092 50 0 FGAALP CNc1nc(N[C@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)[nH+]c2c1CCC2 ZINC000072473553 494178886 /nfs/dbraw/zinc/17/88/86/494178886.db2.gz GKTFFVIRIWAODJ-INIZCTEOSA-N 2 2 367.497 3.092 50 0 FGAALP Cc1cc(F)ccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095380577 494969857 /nfs/dbraw/zinc/96/98/57/494969857.db2.gz ABUPFYUYBKTUAK-UHFFFAOYSA-N 2 2 372.488 3.302 50 0 FGAALP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095380263 494969898 /nfs/dbraw/zinc/96/98/98/494969898.db2.gz JAKQWTHUPNPPQD-SFHVURJKSA-N 2 2 369.513 3.238 50 0 FGAALP CC(C)n1cnnc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1(C)C ZINC000095459381 494976677 /nfs/dbraw/zinc/97/66/77/494976677.db2.gz GDPCZFFOUBNYKH-IBGZPJMESA-N 2 2 355.530 3.434 50 0 FGAALP CC(C)n1cnnc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1(C)C ZINC000095459381 494976681 /nfs/dbraw/zinc/97/66/81/494976681.db2.gz GDPCZFFOUBNYKH-IBGZPJMESA-N 2 2 355.530 3.434 50 0 FGAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000095512675 494984566 /nfs/dbraw/zinc/98/45/66/494984566.db2.gz VZZNTDYXQXHYAC-MRXNPFEDSA-N 2 2 356.470 3.112 50 0 FGAALP Cc1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)n1 ZINC000172151078 496184931 /nfs/dbraw/zinc/18/49/31/496184931.db2.gz CQEIJTREBZXXGZ-GFCCVEGCSA-N 2 2 357.845 3.463 50 0 FGAALP Cn1cnnc1Sc1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)o1 ZINC000215845568 496984457 /nfs/dbraw/zinc/98/44/57/496984457.db2.gz WOKPUXCWINROIM-OAHLLOKOSA-N 2 2 372.498 3.201 50 0 FGAALP Cn1cnnc1Sc1ccc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)o1 ZINC000215845568 496984458 /nfs/dbraw/zinc/98/44/58/496984458.db2.gz WOKPUXCWINROIM-OAHLLOKOSA-N 2 2 372.498 3.201 50 0 FGAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000218827025 497005884 /nfs/dbraw/zinc/00/58/84/497005884.db2.gz MXFNBTPQQCHBJO-LJQANCHMSA-N 2 2 372.488 3.234 50 0 FGAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1F ZINC000218827025 497005889 /nfs/dbraw/zinc/00/58/89/497005889.db2.gz MXFNBTPQQCHBJO-LJQANCHMSA-N 2 2 372.488 3.234 50 0 FGAALP CCN(C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848074 497100033 /nfs/dbraw/zinc/10/00/33/497100033.db2.gz VEUADMIEZRXZOT-DOTOQJQBSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848074 497100037 /nfs/dbraw/zinc/10/00/37/497100037.db2.gz VEUADMIEZRXZOT-DOTOQJQBSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848074 497100044 /nfs/dbraw/zinc/10/00/44/497100044.db2.gz VEUADMIEZRXZOT-DOTOQJQBSA-N 2 2 374.554 3.311 50 0 FGAALP CCN(C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1nc2ccccc2s1 ZINC000229848074 497100049 /nfs/dbraw/zinc/10/00/49/497100049.db2.gz VEUADMIEZRXZOT-DOTOQJQBSA-N 2 2 374.554 3.311 50 0 FGAALP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000289102703 498016850 /nfs/dbraw/zinc/01/68/50/498016850.db2.gz CHIPPTYHOVQXGR-IBGZPJMESA-N 2 2 355.457 3.471 50 0 FGAALP Cc1ccccc1[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCC(C)CC1 ZINC000534634903 504196604 /nfs/dbraw/zinc/19/66/04/504196604.db2.gz YWUYFPPCOFFSMP-IBGZPJMESA-N 2 2 369.513 3.333 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000082108818 527165439 /nfs/dbraw/zinc/16/54/39/527165439.db2.gz FNURSBGVRJFBJY-GOSISDBHSA-N 2 2 356.514 3.314 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000082108818 527165440 /nfs/dbraw/zinc/16/54/40/527165440.db2.gz FNURSBGVRJFBJY-GOSISDBHSA-N 2 2 356.514 3.314 50 0 FGAALP O=C1CCCN1C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000047794646 570931379 /nfs/dbraw/zinc/93/13/79/570931379.db2.gz RYHKILUBILNFSR-NRFANRHFSA-N 2 2 360.461 3.326 50 0 FGAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000221826708 571175737 /nfs/dbraw/zinc/17/57/37/571175737.db2.gz LTTRLQJPKZZQEW-DYESRHJHSA-N 2 2 367.493 3.309 50 0 FGAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000221826708 571175739 /nfs/dbraw/zinc/17/57/39/571175739.db2.gz LTTRLQJPKZZQEW-DYESRHJHSA-N 2 2 367.493 3.309 50 0 FGAALP OC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)c(F)c1 ZINC000092768740 571198929 /nfs/dbraw/zinc/19/89/29/571198929.db2.gz ICOATPMPTASEPX-IBGZPJMESA-N 2 2 363.864 3.162 50 0 FGAALP Cc1nc(NCC2([NH+]3CCCCC3)CCCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426374432 571216717 /nfs/dbraw/zinc/21/67/17/571216717.db2.gz UQPJYWZYBZBPQJ-SFHVURJKSA-N 2 2 358.530 3.312 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299778491 529958170 /nfs/dbraw/zinc/95/81/70/529958170.db2.gz NGSOCSLBZVINAC-IBGZPJMESA-N 2 2 367.493 3.004 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299778491 529958172 /nfs/dbraw/zinc/95/81/72/529958172.db2.gz NGSOCSLBZVINAC-IBGZPJMESA-N 2 2 367.493 3.004 50 0 FGAALP CC12C[NH+](Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2O ZINC000000755166 219319234 /nfs/dbraw/zinc/31/92/34/219319234.db2.gz KPUYNELHBVOTER-UHFFFAOYSA-N 2 2 350.506 3.392 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000000821032 219327148 /nfs/dbraw/zinc/32/71/48/219327148.db2.gz XUXFFVVQPZCGDK-UHFFFAOYSA-N 2 2 364.493 3.455 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000000821032 219327149 /nfs/dbraw/zinc/32/71/49/219327149.db2.gz XUXFFVVQPZCGDK-UHFFFAOYSA-N 2 2 364.493 3.455 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2cccs2)C1=N ZINC000001195139 219387846 /nfs/dbraw/zinc/38/78/46/219387846.db2.gz UCXRCKOZRORETI-UHFFFAOYSA-N 2 2 356.495 3.208 50 0 FGAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2cccs2)C1=N ZINC000001195139 219387849 /nfs/dbraw/zinc/38/78/49/219387849.db2.gz UCXRCKOZRORETI-UHFFFAOYSA-N 2 2 356.495 3.208 50 0 FGAALP C[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000001306930 219393749 /nfs/dbraw/zinc/39/37/49/219393749.db2.gz DYHXPTWXDVZTSN-INIZCTEOSA-N 2 2 362.477 3.460 50 0 FGAALP COc1cc([C@@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000022028437 220374861 /nfs/dbraw/zinc/37/48/61/220374861.db2.gz FPPFSSBNTOQSST-HXUWFJFHSA-N 2 2 356.466 3.097 50 0 FGAALP COc1cc([C@@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000022028437 220374863 /nfs/dbraw/zinc/37/48/63/220374863.db2.gz FPPFSSBNTOQSST-HXUWFJFHSA-N 2 2 356.466 3.097 50 0 FGAALP COc1ccc(OC)c(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067834421 221292923 /nfs/dbraw/zinc/29/29/23/221292923.db2.gz ZIFGCUTWZXMPTP-OAHLLOKOSA-N 2 2 359.470 3.099 50 0 FGAALP COc1ccc(OC)c(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067834421 221292925 /nfs/dbraw/zinc/29/29/25/221292925.db2.gz ZIFGCUTWZXMPTP-OAHLLOKOSA-N 2 2 359.470 3.099 50 0 FGAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC000095374208 132208781 /nfs/dbraw/zinc/20/87/81/132208781.db2.gz QHTQFOJYVXEOBY-UHFFFAOYSA-N 3 2 367.541 3.493 50 0 FGAALP C[NH+](C)[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1CCCO ZINC000091877016 221809859 /nfs/dbraw/zinc/80/98/59/221809859.db2.gz BLMBBKMRMFGSJO-UXHICEINSA-N 2 2 360.546 3.049 50 0 FGAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1CCCO ZINC000091877016 221809863 /nfs/dbraw/zinc/80/98/63/221809863.db2.gz BLMBBKMRMFGSJO-UXHICEINSA-N 2 2 360.546 3.049 50 0 FGAALP Cc1[nH+]cnc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1C ZINC000082109702 493979607 /nfs/dbraw/zinc/97/96/07/493979607.db2.gz HWGUAVFUMOJVOF-UHFFFAOYSA-N 2 2 354.502 3.440 50 0 FGAALP Cc1[nH+]cnc(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)c1C ZINC000082109702 493979611 /nfs/dbraw/zinc/97/96/11/493979611.db2.gz HWGUAVFUMOJVOF-UHFFFAOYSA-N 2 2 354.502 3.440 50 0 FGAALP Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)n1 ZINC000072145605 494133765 /nfs/dbraw/zinc/13/37/65/494133765.db2.gz VWHVROOQACVXHK-HXUWFJFHSA-N 2 2 365.481 3.222 50 0 FGAALP Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)n1 ZINC000072145605 494133769 /nfs/dbraw/zinc/13/37/69/494133769.db2.gz VWHVROOQACVXHK-HXUWFJFHSA-N 2 2 365.481 3.222 50 0 FGAALP CC(C)Cn1c[nH+]cc1CNC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072151802 494135601 /nfs/dbraw/zinc/13/56/01/494135601.db2.gz XNWZKUMTRCIXTN-UHFFFAOYSA-N 2 2 354.498 3.011 50 0 FGAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838814 494193507 /nfs/dbraw/zinc/19/35/07/494193507.db2.gz WXOPLZPIBVMZNR-HXUWFJFHSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838814 494193513 /nfs/dbraw/zinc/19/35/13/494193513.db2.gz WXOPLZPIBVMZNR-HXUWFJFHSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838814 494193519 /nfs/dbraw/zinc/19/35/19/494193519.db2.gz WXOPLZPIBVMZNR-HXUWFJFHSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cnn(C)c3C)C2)cc1 ZINC000011838814 494193522 /nfs/dbraw/zinc/19/35/22/494193522.db2.gz WXOPLZPIBVMZNR-HXUWFJFHSA-N 2 2 370.541 3.124 50 0 FGAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC000012306249 494222012 /nfs/dbraw/zinc/22/20/12/494222012.db2.gz QSEKNTBFUUHULX-HXUWFJFHSA-N 2 2 358.461 3.046 50 0 FGAALP COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC000012306249 494222020 /nfs/dbraw/zinc/22/20/20/494222020.db2.gz QSEKNTBFUUHULX-HXUWFJFHSA-N 2 2 358.461 3.046 50 0 FGAALP COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316752 494222709 /nfs/dbraw/zinc/22/27/09/494222709.db2.gz RDTDCEMDNRWZME-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2c[nH+]c(C)[nH]2)C1 ZINC000012316752 494222712 /nfs/dbraw/zinc/22/27/12/494222712.db2.gz RDTDCEMDNRWZME-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2c[nH]c(C)[nH+]2)C1 ZINC000012316752 494222714 /nfs/dbraw/zinc/22/27/14/494222714.db2.gz RDTDCEMDNRWZME-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2c[nH]c(C)[nH+]2)C1 ZINC000012316752 494222717 /nfs/dbraw/zinc/22/27/17/494222717.db2.gz RDTDCEMDNRWZME-GOSISDBHSA-N 2 2 356.514 3.113 50 0 FGAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000091793646 494683549 /nfs/dbraw/zinc/68/35/49/494683549.db2.gz JCVYGWORQURWHD-SFHVURJKSA-N 2 2 365.481 3.162 50 0 FGAALP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597345 494742844 /nfs/dbraw/zinc/74/28/44/494742844.db2.gz ODDJOOYCWWXGOG-SFHVURJKSA-N 2 2 369.513 3.005 50 0 FGAALP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597345 494742855 /nfs/dbraw/zinc/74/28/55/494742855.db2.gz ODDJOOYCWWXGOG-SFHVURJKSA-N 2 2 369.513 3.005 50 0 FGAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003462 494749318 /nfs/dbraw/zinc/74/93/18/494749318.db2.gz NWQREOTYNOCWRJ-FQEVSTJZSA-N 2 2 366.509 3.057 50 0 FGAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003462 494749323 /nfs/dbraw/zinc/74/93/23/494749323.db2.gz NWQREOTYNOCWRJ-FQEVSTJZSA-N 2 2 366.509 3.057 50 0 FGAALP CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NCCNc1cc[nH+]cc1C ZINC000095358358 494962570 /nfs/dbraw/zinc/96/25/70/494962570.db2.gz WBGJLJFVCJUPAT-GOSISDBHSA-N 2 2 365.481 3.482 50 0 FGAALP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983643 /nfs/dbraw/zinc/98/36/43/494983643.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983645 /nfs/dbraw/zinc/98/36/45/494983645.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983646 /nfs/dbraw/zinc/98/36/46/494983646.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983648 /nfs/dbraw/zinc/98/36/48/494983648.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 3 2 358.505 3.217 50 0 FGAALP Cc1cccc2nc(C3CC[NH+](Cc4c[nH+]c(N(C)C)n4C)CC3)oc21 ZINC000578188050 505882165 /nfs/dbraw/zinc/88/21/65/505882165.db2.gz VUXSQVRXUOZLHB-UHFFFAOYSA-N 2 2 353.470 3.315 50 0 FGAALP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)[nH]1 ZINC000244748529 497369224 /nfs/dbraw/zinc/36/92/24/497369224.db2.gz OJDACWGHGKHQRQ-QGZVFWFLSA-N 2 2 358.449 3.499 50 0 FGAALP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)[nH]1 ZINC000244748529 497369225 /nfs/dbraw/zinc/36/92/25/497369225.db2.gz OJDACWGHGKHQRQ-QGZVFWFLSA-N 2 2 358.449 3.499 50 0 FGAALP CC(C)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000426563425 500289430 /nfs/dbraw/zinc/28/94/30/500289430.db2.gz SQXAAMPBJOJFGM-OAQYLSRUSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)cc1)C2 ZINC000426563425 500289433 /nfs/dbraw/zinc/28/94/33/500289433.db2.gz SQXAAMPBJOJFGM-OAQYLSRUSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426563425 500289436 /nfs/dbraw/zinc/28/94/36/500289436.db2.gz SQXAAMPBJOJFGM-OAQYLSRUSA-N 2 2 361.505 3.028 50 0 FGAALP CC(C)NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000426563425 500289439 /nfs/dbraw/zinc/28/94/39/500289439.db2.gz SQXAAMPBJOJFGM-OAQYLSRUSA-N 2 2 361.505 3.028 50 0 FGAALP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000584892845 507559179 /nfs/dbraw/zinc/55/91/79/507559179.db2.gz GXVMBMRHJKRYFU-UHFFFAOYSA-N 2 2 357.502 3.279 50 0 FGAALP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000584892845 507559183 /nfs/dbraw/zinc/55/91/83/507559183.db2.gz GXVMBMRHJKRYFU-UHFFFAOYSA-N 2 2 357.502 3.279 50 0 FGAALP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC ZINC000020968139 520294048 /nfs/dbraw/zinc/29/40/48/520294048.db2.gz AUFPBOYBOAVVMY-UHFFFAOYSA-N 2 2 370.921 3.339 50 0 FGAALP Cc1[nH]c2ccc(NC(=O)N3CC[NH+](CCc4ccccc4)CC3)cc2[nH+]1 ZINC000299757311 534659300 /nfs/dbraw/zinc/65/93/00/534659300.db2.gz LCZCUHFKMSPAGQ-UHFFFAOYSA-N 2 2 363.465 3.264 50 0 FGAALP Fc1cccc([C@]2(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)CCOC2)c1 ZINC000020863895 526399197 /nfs/dbraw/zinc/39/91/97/526399197.db2.gz XQBIKJVTGGPQAJ-QFIPXVFZSA-N 2 2 369.484 3.133 50 0 FGAALP c1sc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1C[NH+]1CCCCC1 ZINC000670450817 571352551 /nfs/dbraw/zinc/35/25/51/571352551.db2.gz NYSZWDTUOWRWBV-UHFFFAOYSA-N 2 2 370.566 3.447 50 0 FGAALP c1sc(CN2CC[NH+](Cc3cccnc3)CC2)cc1C[NH+]1CCCCC1 ZINC000670450817 571352552 /nfs/dbraw/zinc/35/25/52/571352552.db2.gz NYSZWDTUOWRWBV-UHFFFAOYSA-N 2 2 370.566 3.447 50 0 FGAALP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000015066284 220143914 /nfs/dbraw/zinc/14/39/14/220143914.db2.gz FVOFEORSSMMYJF-KRWDZBQOSA-N 2 2 374.525 3.473 50 0 FGAALP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)CC1 ZINC000015066284 220143917 /nfs/dbraw/zinc/14/39/17/220143917.db2.gz FVOFEORSSMMYJF-KRWDZBQOSA-N 2 2 374.525 3.473 50 0 FGAALP CN(C)c1[nH+]cccc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000055108963 221059146 /nfs/dbraw/zinc/05/91/46/221059146.db2.gz KIPDVYOQNTURNK-LJQANCHMSA-N 2 2 370.472 3.130 50 0 FGAALP CCCCc1cc(=O)[nH]c(-c2ccccc2C[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000063868359 221144115 /nfs/dbraw/zinc/14/41/15/221144115.db2.gz YIQIEJLAUBCABV-UHFFFAOYSA-N 2 2 368.525 3.306 50 0 FGAALP CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C(C)C ZINC000071730314 221357331 /nfs/dbraw/zinc/35/73/31/221357331.db2.gz MDWYIJUPOQVFJS-HXUWFJFHSA-N 2 2 372.557 3.015 50 0 FGAALP CCN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C(C)C ZINC000071730314 221357333 /nfs/dbraw/zinc/35/73/33/221357333.db2.gz MDWYIJUPOQVFJS-HXUWFJFHSA-N 2 2 372.557 3.015 50 0 FGAALP COc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004109099 132386416 /nfs/dbraw/zinc/38/64/16/132386416.db2.gz GZQINONVIBFLDJ-UHFFFAOYSA-N 2 2 365.521 3.482 50 0 FGAALP COc1ccccc1N1CC[NH+](C2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000004140873 493866596 /nfs/dbraw/zinc/86/65/96/493866596.db2.gz HGIWURKGWWERTO-JQVVWYNYSA-N 2 2 369.553 3.470 50 0 FGAALP COc1ccc([C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)[NH+]2CCCC2)cc1 ZINC000032735864 494010114 /nfs/dbraw/zinc/01/01/14/494010114.db2.gz HCMCSQYFVLTMSQ-FQEVSTJZSA-N 2 2 368.477 3.393 50 0 FGAALP CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000077322535 494057772 /nfs/dbraw/zinc/05/77/72/494057772.db2.gz HPVVVDBRMCNQPN-UHFFFAOYSA-N 2 2 362.412 3.288 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077355305 494065383 /nfs/dbraw/zinc/06/53/83/494065383.db2.gz GDNCMQFPNRIGJP-OAQYLSRUSA-N 2 2 360.461 3.001 50 0 FGAALP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077355305 494065388 /nfs/dbraw/zinc/06/53/88/494065388.db2.gz GDNCMQFPNRIGJP-OAQYLSRUSA-N 2 2 360.461 3.001 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077355307 494065614 /nfs/dbraw/zinc/06/56/14/494065614.db2.gz GDNCMQFPNRIGJP-NRFANRHFSA-N 2 2 360.461 3.001 50 0 FGAALP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077355307 494065618 /nfs/dbraw/zinc/06/56/18/494065618.db2.gz GDNCMQFPNRIGJP-NRFANRHFSA-N 2 2 360.461 3.001 50 0 FGAALP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000012730054 494251874 /nfs/dbraw/zinc/25/18/74/494251874.db2.gz XDQQQALYXXVESQ-UHFFFAOYSA-N 2 2 373.570 3.292 50 0 FGAALP CCc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095362717 494964452 /nfs/dbraw/zinc/96/44/52/494964452.db2.gz PAHBUJCGHULBMO-IBGZPJMESA-N 2 2 364.497 3.002 50 0 FGAALP CCc1ccccc1C[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095362717 494964455 /nfs/dbraw/zinc/96/44/55/494964455.db2.gz PAHBUJCGHULBMO-IBGZPJMESA-N 2 2 364.497 3.002 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816274 495746622 /nfs/dbraw/zinc/74/66/22/495746622.db2.gz QVLMXTUOYGMXDJ-UXHICEINSA-N 2 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000179816274 495746626 /nfs/dbraw/zinc/74/66/26/495746626.db2.gz QVLMXTUOYGMXDJ-UXHICEINSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816274 495746631 /nfs/dbraw/zinc/74/66/31/495746631.db2.gz QVLMXTUOYGMXDJ-UXHICEINSA-N 3 2 373.545 3.191 50 0 FGAALP Cc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000179816274 495746636 /nfs/dbraw/zinc/74/66/36/495746636.db2.gz QVLMXTUOYGMXDJ-UXHICEINSA-N 3 2 373.545 3.191 50 0 FGAALP CC[NH+]1CCC([N@H+](CCc2ccccn2)Cc2cnc(SC)nc2)CC1 ZINC000216422304 496989277 /nfs/dbraw/zinc/98/92/77/496989277.db2.gz MBPXPWRPAMECEZ-UHFFFAOYSA-N 2 2 371.554 3.123 50 0 FGAALP CC[NH+]1CCC([N@@H+](CCc2ccccn2)Cc2cnc(SC)nc2)CC1 ZINC000216422304 496989284 /nfs/dbraw/zinc/98/92/84/496989284.db2.gz MBPXPWRPAMECEZ-UHFFFAOYSA-N 2 2 371.554 3.123 50 0 FGAALP Cc1[nH+]c2ccccc2n1CCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000223052390 497031863 /nfs/dbraw/zinc/03/18/63/497031863.db2.gz FKLIEKDRVMWCHV-UHFFFAOYSA-N 2 2 351.454 3.057 50 0 FGAALP CC[C@@H](C(=O)NCc1cn2c(cccc2C)[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000225803500 497076295 /nfs/dbraw/zinc/07/62/95/497076295.db2.gz VQUUYIJINHVJAL-IBGZPJMESA-N 2 2 350.466 3.170 50 0 FGAALP CC[C@@H](C(=O)NCc1cn2c(cccc2C)[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000225803500 497076301 /nfs/dbraw/zinc/07/63/01/497076301.db2.gz VQUUYIJINHVJAL-IBGZPJMESA-N 2 2 350.466 3.170 50 0 FGAALP CC[N@H+](C)C1(CNC(=O)c2ccc(-c3ccc(N)[nH+]c3)cc2)CCCC1 ZINC000426667110 500303764 /nfs/dbraw/zinc/30/37/64/500303764.db2.gz QIODZCNTAIKCHP-UHFFFAOYSA-N 2 2 352.482 3.155 50 0 FGAALP CC[N@@H+](C)C1(CNC(=O)c2ccc(-c3ccc(N)[nH+]c3)cc2)CCCC1 ZINC000426667110 500303766 /nfs/dbraw/zinc/30/37/66/500303766.db2.gz QIODZCNTAIKCHP-UHFFFAOYSA-N 2 2 352.482 3.155 50 0 FGAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000082127611 523188311 /nfs/dbraw/zinc/18/83/11/523188311.db2.gz UVKAEXWCONBBHY-UHFFFAOYSA-N 2 2 367.541 3.316 50 0 FGAALP C[NH+]1CCC(n2nc(Cc3cccc(Cl)c3)nc2Cn2cc[nH+]c2)CC1 ZINC000091550638 523786023 /nfs/dbraw/zinc/78/60/23/523786023.db2.gz GNUDBHFOGOKJMP-UHFFFAOYSA-N 2 2 370.888 3.034 50 0 FGAALP Cc1[nH+]ccn1-c1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000299776605 534766526 /nfs/dbraw/zinc/76/65/26/534766526.db2.gz DNKBBZYTBKBCJY-QGZVFWFLSA-N 2 2 350.426 3.187 50 0 FGAALP