smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CCOCC3)n(CCN3CCCCC3)c2c(=O)[nH]c1=O ZINC000000625768 483395155 /nfs/dbraw/zinc/39/51/55/483395155.db2.gz ZSBIXDYYIAEKPZ-UHFFFAOYSA-N 0 3 362.434 -0.254 50 0 FBAAHN CN1CCc2c3ccccc3n(C[C@H](O)CN(CCO)CCO)c2C1=O ZINC000000803229 485137581 /nfs/dbraw/zinc/13/75/81/485137581.db2.gz MYFCPDLICZLDEE-CQSZACIVSA-N 0 3 361.442 -0.083 50 0 FBAAHN CN1CCc2c3ccccc3n(C[C@@H](O)CN(CCO)CCO)c2C1=O ZINC000000803230 210225325 /nfs/dbraw/zinc/22/53/25/210225325.db2.gz MYFCPDLICZLDEE-AWEZNQCLSA-N 0 3 361.442 -0.083 50 0 FBAAHN Cn1c2ncn(CCN(CCO)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000850394 483395411 /nfs/dbraw/zinc/39/54/11/483395411.db2.gz XXVDVZFDOWMKLD-UHFFFAOYSA-N 0 3 357.414 -0.072 50 0 FBAAHN NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002384977 204036220 /nfs/dbraw/zinc/03/62/20/204036220.db2.gz QADCERNTBWTXFV-JSGCOSHPSA-N 0 3 360.418 -0.130 50 0 endogenous,in-vitro FBAAHN CN(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003217967 484969686 /nfs/dbraw/zinc/96/96/86/484969686.db2.gz CEXOYMFTNPMPLA-UHFFFAOYSA-N 0 3 371.459 -0.236 50 0 FBAAHN Cn1c2nc(N3CCNCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000003839141 204111330 /nfs/dbraw/zinc/11/13/30/204111330.db2.gz QFSMMXJBEBXTJP-UHFFFAOYSA-N 0 3 354.414 -0.108 50 0 in-vivo FBAAHN OCCN1CCOCCOCCOCCOCCOCCOCC1 ZINC000003895806 483581025 /nfs/dbraw/zinc/58/10/25/483581025.db2.gz NWQYCKNSHCBKDQ-UHFFFAOYSA-N 0 3 351.440 -0.606 50 0 FBAAHN COc1cc2[nH]c(=O)n(CCC(=O)NCCN(C)C)c(=O)c2cc1OC ZINC000003906629 204115493 /nfs/dbraw/zinc/11/54/93/204115493.db2.gz VKMBSDGQCGGBGP-UHFFFAOYSA-N 0 3 364.402 -0.225 50 0 FBAAHN Cn1c2nc(N3CCNCC3)n(CCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000004102868 483408610 /nfs/dbraw/zinc/40/86/10/483408610.db2.gz OIUPVAVGNZRYCN-UHFFFAOYSA-N 0 3 370.413 -0.088 50 0 FBAAHN Cn1c2nc(N3CCNCC3)n(C[C@H](O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000004454249 207019608 /nfs/dbraw/zinc/01/96/08/207019608.db2.gz AQTRKYXTZBTSHZ-ZDUSSCGKSA-N 0 3 370.413 -0.434 50 0 FBAAHN Cn1c2nc(N3CCNCC3)n(C[C@@H](O)c3ccccc3)c2c(=O)[nH]c1=O ZINC000004454250 207019768 /nfs/dbraw/zinc/01/97/68/207019768.db2.gz AQTRKYXTZBTSHZ-CYBMUJFWSA-N 0 3 370.413 -0.434 50 0 FBAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCC(N)=O ZINC000004488481 483462709 /nfs/dbraw/zinc/46/27/09/483462709.db2.gz PJIPQRIURWWOIN-UHFFFAOYSA-N 0 3 352.420 -0.035 50 0 FBAAHN CN(CCO)C[C@@H](O)COc1ccc(OC[C@H](O)CN(C)CCO)cc1 ZINC000004765000 207045882 /nfs/dbraw/zinc/04/58/82/207045882.db2.gz USZPCPWIZKNKSP-HZPDHXFCSA-N 0 3 372.462 -0.986 50 0 FBAAHN NC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000004899883 483412561 /nfs/dbraw/zinc/41/25/61/483412561.db2.gz BFTIPPVTTJTHLM-MNXVOIDGSA-N 0 3 371.507 -0.189 50 0 in-vitro FBAAHN Cn1cnc2c1c(=O)n(CCN(CCO)Cc1ccccc1)c(=O)n2C ZINC000005286118 483999582 /nfs/dbraw/zinc/99/95/82/483999582.db2.gz WDAGGLYXXGNHNH-UHFFFAOYSA-N 0 3 357.414 -0.072 50 0 FBAAHN CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005315135 484132948 /nfs/dbraw/zinc/13/29/48/484132948.db2.gz TUYZRXVAEZQUMA-UHFFFAOYSA-N 0 3 354.432 -0.157 50 0 FBAAHN CN(C)CCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005339538 207094255 /nfs/dbraw/zinc/09/42/55/207094255.db2.gz PFQKOIVACPEQGC-UHFFFAOYSA-N 0 3 354.432 -0.157 50 0 FBAAHN Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CCC(C(N)=O)CC1 ZINC000009059747 485110886 /nfs/dbraw/zinc/11/08/86/485110886.db2.gz KNDNZAYTSDABOL-UHFFFAOYSA-N 0 3 373.417 -0.818 50 0 FBAAHN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)NCCN(C)C ZINC000009134797 207258766 /nfs/dbraw/zinc/25/87/66/207258766.db2.gz NFFFXDBTRDDCRA-UHFFFAOYSA-N 0 3 356.404 -0.442 50 0 FBAAHN CN(C)CCN1C[C@@H](C(=O)N2CCN(CCCCO)CC2)CCC1=O ZINC000011839360 483450647 /nfs/dbraw/zinc/45/06/47/483450647.db2.gz KUDYCFHTMRRFMJ-INIZCTEOSA-N 0 3 354.495 -0.297 50 0 FBAAHN CN(C)CCN1C[C@H](C(=O)N2CCN(CCCCO)CC2)CCC1=O ZINC000011839361 483451303 /nfs/dbraw/zinc/45/13/03/483451303.db2.gz KUDYCFHTMRRFMJ-MRXNPFEDSA-N 0 3 354.495 -0.297 50 0 FBAAHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3cnccn3)CC1)C2=O ZINC000012914277 484516118 /nfs/dbraw/zinc/51/61/18/484516118.db2.gz FIJSPULSOUQARS-UHFFFAOYSA-N 0 3 359.434 -0.428 50 0 FBAAHN CCN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012943854 211010547 /nfs/dbraw/zinc/01/05/47/211010547.db2.gz WSYYSIVNMCXHRU-GFCCVEGCSA-N 0 3 358.464 -0.531 50 0 FBAAHN CCN(CN1C(=O)NC2(CCN(C)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000012943861 220045036 /nfs/dbraw/zinc/04/50/36/220045036.db2.gz WSYYSIVNMCXHRU-LBPRGKRZSA-N 0 3 358.464 -0.531 50 0 FBAAHN CN(CCO)C[C@H](O)COc1ccc(OC[C@@H](O)CN(C)CCO)cc1 ZINC000013511661 220070579 /nfs/dbraw/zinc/07/05/79/220070579.db2.gz USZPCPWIZKNKSP-HOTGVXAUSA-N 0 3 372.462 -0.986 50 0 FBAAHN CN(C)CCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013675819 483463082 /nfs/dbraw/zinc/46/30/82/483463082.db2.gz XUWMQXDFMHONQQ-UHFFFAOYSA-N 0 3 357.432 -0.098 50 0 FBAAHN CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014747237 483470171 /nfs/dbraw/zinc/47/01/71/483470171.db2.gz WYLQYULREMXGFH-UHFFFAOYSA-N 0 3 362.434 -0.167 50 0 FBAAHN COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCC(N)=O ZINC000016196144 483478843 /nfs/dbraw/zinc/47/88/43/483478843.db2.gz JSSOBFALOPVBKP-UHFFFAOYSA-N 0 3 364.362 -0.956 50 0 FBAAHN CN(C[C@H]1CCCCN1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220649 211205482 /nfs/dbraw/zinc/20/54/82/211205482.db2.gz SOUAQVHQMWTMFZ-OAHLLOKOSA-N 0 3 365.482 -0.162 50 0 FBAAHN CN(C[C@@H]1CCCCN1C)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019220654 211206247 /nfs/dbraw/zinc/20/62/47/211206247.db2.gz SOUAQVHQMWTMFZ-HNNXBMFYSA-N 0 3 365.482 -0.162 50 0 FBAAHN COC(=O)C(=CC(C=C(C(=O)OC)C(=O)OC)=CN(C)C)C(=O)OC ZINC000019338291 211216492 /nfs/dbraw/zinc/21/64/92/211216492.db2.gz PFWQCKXHCDZAHJ-UHFFFAOYSA-N 0 3 355.343 -0.023 50 0 FBAAHN COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000019368234 484056165 /nfs/dbraw/zinc/05/61/65/484056165.db2.gz RTSCDXUIFPYRBY-UHFFFAOYSA-N 0 3 370.475 -0.290 50 0 FBAAHN O=C1c2ccccc2C(=O)N1CCn1ncc(N2CCNCC2)cc1=O ZINC000019757142 483488789 /nfs/dbraw/zinc/48/87/89/483488789.db2.gz CRVBTXRMYZLCKY-UHFFFAOYSA-N 0 3 353.382 -0.051 50 0 FBAAHN CCN(CCN(CC)CCN(CC)CC(N)=O)CCN(CC)CC(N)=O ZINC000019898991 483488952 /nfs/dbraw/zinc/48/89/52/483488952.db2.gz YWMZCDYLTJCEJT-UHFFFAOYSA-N 0 3 372.558 -0.755 50 0 FBAAHN CCN1CCN(CCn2c(C)cn3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062051 483489977 /nfs/dbraw/zinc/48/99/77/483489977.db2.gz DAXIIRVCXORNGT-UHFFFAOYSA-N 0 3 359.434 -0.378 50 0 FBAAHN CCN1CCN(CCn2c(C)c(C)n3c2nc2c3c(=O)[nH]c(=O)n2C)CC1 ZINC000020062065 220310555 /nfs/dbraw/zinc/31/05/55/220310555.db2.gz GJPHSANXQWQUNP-UHFFFAOYSA-N 0 3 373.461 -0.070 50 0 FBAAHN CCn1cc(NC(=O)Cn2ncc(N3CCCN(C)CC3)cc2=O)nn1 ZINC000020541819 523416964 /nfs/dbraw/zinc/41/69/64/523416964.db2.gz PIGSVDZALQFIOT-UHFFFAOYSA-N 0 3 360.422 -0.365 50 0 FBAAHN CC1=C(C(=O)NCCN(C)C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020581614 484854515 /nfs/dbraw/zinc/85/45/15/484854515.db2.gz IDYQZCXCDRMXJL-UHFFFAOYSA-N 0 3 359.448 -0.668 50 0 FBAAHN CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCN(C)CC2)CC1 ZINC000020688089 521661661 /nfs/dbraw/zinc/66/16/61/521661661.db2.gz CALQKPJVEXVZFV-UHFFFAOYSA-N 0 3 360.524 -0.198 50 0 FBAAHN Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCCN1CCN(C)CC1 ZINC000020714109 220338965 /nfs/dbraw/zinc/33/89/65/220338965.db2.gz FYOYDWNBVBAJLF-UHFFFAOYSA-N 0 3 373.461 -0.070 50 0 FBAAHN Cn1ncc2c1nc(N1CCN(CCO)CC1)nc2N1CCN(C)CC1 ZINC000021929755 484870534 /nfs/dbraw/zinc/87/05/34/484870534.db2.gz SWOAUKCPONXHRO-UHFFFAOYSA-N 0 3 360.466 -0.771 50 0 FBAAHN CCN1CCN(c2nc(N3CCN(CCO)CC3)nc3c2cnn3C)CC1 ZINC000021930039 484871201 /nfs/dbraw/zinc/87/12/01/484871201.db2.gz OQFDEKSADNQBCB-UHFFFAOYSA-N 0 3 374.493 -0.381 50 0 FBAAHN CN1CCN(CCCNC(=O)c2cc(CN3CCOCC3)on2)CC1 ZINC000022937520 483472935 /nfs/dbraw/zinc/47/29/35/483472935.db2.gz DAACPZLUYUHZSA-UHFFFAOYSA-N 0 3 351.451 -0.126 50 0 FBAAHN CN(CCN1CCCCC1)C(=O)Cn1nnnc1CN1CCOCC1 ZINC000023338595 483497229 /nfs/dbraw/zinc/49/72/29/483497229.db2.gz QPPJQMVZCYDHNI-UHFFFAOYSA-N 0 3 351.455 -0.550 50 0 FBAAHN CS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1N1CCNCC1 ZINC000033033144 483664062 /nfs/dbraw/zinc/66/40/62/483664062.db2.gz OXAHALDRKKUOLR-UHFFFAOYSA-N 0 3 368.459 -0.060 50 0 FBAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000033318504 483766095 /nfs/dbraw/zinc/76/60/95/483766095.db2.gz NFGZHDVXZPMOFH-UHFFFAOYSA-N 0 3 354.480 -0.382 50 0 FBAAHN CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-] ZINC000035636315 483578993 /nfs/dbraw/zinc/57/89/93/483578993.db2.gz FQJRPNXNFXYTHZ-GRYCIOLGSA-N 0 3 372.426 -0.410 50 0 in-vitro FBAAHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000041318794 483610358 /nfs/dbraw/zinc/61/03/58/483610358.db2.gz SEKMJTYLAOBZFA-UHFFFAOYSA-N 0 3 354.476 -0.086 50 0 FBAAHN CCN1CCC[C@@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893943 208319550 /nfs/dbraw/zinc/31/95/50/208319550.db2.gz XJWNPHADFIUJDU-GFCCVEGCSA-N 0 3 351.407 -0.315 50 0 FBAAHN CCN1CCC[C@H]1CNC(=O)c1nc(CC(=O)N2CCOCC2)no1 ZINC000044893946 208320583 /nfs/dbraw/zinc/32/05/83/208320583.db2.gz XJWNPHADFIUJDU-LBPRGKRZSA-N 0 3 351.407 -0.315 50 0 FBAAHN CCS(=O)(=O)N(CCCN1CCCC1)CCC(=O)N1CCNCC1 ZINC000045945164 205127548 /nfs/dbraw/zinc/12/75/48/205127548.db2.gz JGMZIMRONFPOSX-UHFFFAOYSA-N 0 3 360.524 -0.054 50 0 FBAAHN CN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C1CC1 ZINC000048264906 205154840 /nfs/dbraw/zinc/15/48/40/205154840.db2.gz HPLYYHZDADDTFE-UHFFFAOYSA-N 0 3 356.448 -0.140 50 0 FBAAHN COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)CN1CCCCC1 ZINC000048546242 483760696 /nfs/dbraw/zinc/76/06/96/483760696.db2.gz CWYGPZZTPINOEJ-GFCCVEGCSA-N 0 3 365.434 -0.573 50 0 FBAAHN COCc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)CN1CCCCC1 ZINC000048546245 483760384 /nfs/dbraw/zinc/76/03/84/483760384.db2.gz CWYGPZZTPINOEJ-LBPRGKRZSA-N 0 3 365.434 -0.573 50 0 FBAAHN CN1c2ccccc2[C@H](NC(=O)C(=O)NCCCN2CCN(C)CC2)C1=O ZINC000049545823 221024623 /nfs/dbraw/zinc/02/46/23/221024623.db2.gz IMXZXBNPQHUOBF-INIZCTEOSA-N 0 3 373.457 -0.426 50 0 FBAAHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000051093622 662326057 /nfs/dbraw/zinc/32/60/57/662326057.db2.gz CFDUHKDHCYMQMD-UHFFFAOYSA-N 0 3 374.507 -0.416 50 0 FBAAHN CS(=O)(=O)NCCNCc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055036143 483670791 /nfs/dbraw/zinc/67/07/91/483670791.db2.gz FILZVCDGXSVDEA-UHFFFAOYSA-N 0 3 371.459 -0.437 50 0 FBAAHN NC(=O)CN1CCC[C@@H](C(=O)NCCc2nnc(-c3cccnc3)[nH]2)C1 ZINC000055037238 221057311 /nfs/dbraw/zinc/05/73/11/221057311.db2.gz WIXXESVJHRJRHQ-CYBMUJFWSA-N 0 3 357.418 -0.277 50 0 FBAAHN NC(=O)CN1CCC[C@H](C(=O)NCCc2nnc(-c3cccnc3)[nH]2)C1 ZINC000055037240 483670550 /nfs/dbraw/zinc/67/05/50/483670550.db2.gz WIXXESVJHRJRHQ-ZDUSSCGKSA-N 0 3 357.418 -0.277 50 0 FBAAHN CN1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000057122068 136128334 /nfs/dbraw/zinc/12/83/34/136128334.db2.gz QETGJPFRLXXLAO-AWEZNQCLSA-N 0 3 357.414 -0.018 50 0 FBAAHN CC(C)N1CCC(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000058183434 205255629 /nfs/dbraw/zinc/25/56/29/205255629.db2.gz BFDLXAINYSHEIP-UHFFFAOYSA-N 0 3 358.464 -0.423 50 0 FBAAHN CN(C)CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000058195719 483683490 /nfs/dbraw/zinc/68/34/90/483683490.db2.gz LYXBYKVDRIBADG-UHFFFAOYSA-N 0 3 361.490 -0.402 50 0 FBAAHN NC(=O)C(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(N)=O ZINC000058377131 484988582 /nfs/dbraw/zinc/98/85/82/484988582.db2.gz ANJLKNJTUYZZDX-UHFFFAOYSA-N 0 3 353.448 -0.402 50 0 FBAAHN CN(C)CCNC(=O)CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000064888518 212048022 /nfs/dbraw/zinc/04/80/22/212048022.db2.gz GLILXSMPCRULDP-UHFFFAOYSA-N 0 3 350.394 -0.326 50 0 FBAAHN Cc1cc(S(=O)(=O)NCC(=O)N2C[C@H](N(C)C)C[C@H]2CO)ccc1F ZINC000065464293 221222684 /nfs/dbraw/zinc/22/26/84/221222684.db2.gz LBLOHMSFGQIPPJ-OLZOCXBDSA-N 0 3 373.450 -0.064 50 0 FBAAHN CCS(=O)(=O)C(C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065466000 221222920 /nfs/dbraw/zinc/22/29/20/221222920.db2.gz BBVAMYSACLVXRQ-JTQLQIEISA-N 0 3 354.432 -0.059 50 0 FBAAHN CCS(=O)(=O)C(C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065466005 205353199 /nfs/dbraw/zinc/35/31/99/205353199.db2.gz BBVAMYSACLVXRQ-SNVBAGLBSA-N 0 3 354.432 -0.059 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc[nH]c1=O)C2 ZINC000065490045 483704793 /nfs/dbraw/zinc/70/47/93/483704793.db2.gz UTNZHGKJTZFARH-UHFFFAOYSA-N 0 3 358.402 -0.069 50 0 FBAAHN Nc1nc(NCc2ccccc2)nc(N2CCN3C(=O)CNC(=O)[C@@H]3C2)n1 ZINC000065491447 221225208 /nfs/dbraw/zinc/22/52/08/221225208.db2.gz JSQGJIPHSOFERV-LBPRGKRZSA-N 0 3 368.401 -0.787 50 0 FBAAHN Nc1nc(NCc2ccccc2)nc(N2CCN3C(=O)CNC(=O)[C@H]3C2)n1 ZINC000065491450 221226320 /nfs/dbraw/zinc/22/63/20/221226320.db2.gz JSQGJIPHSOFERV-GFCCVEGCSA-N 0 3 368.401 -0.787 50 0 FBAAHN COCC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000065493915 221225717 /nfs/dbraw/zinc/22/57/17/221225717.db2.gz OWTWCDNSKOQENG-CQSZACIVSA-N 0 3 354.451 -0.896 50 0 FBAAHN COCC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000065493918 483704453 /nfs/dbraw/zinc/70/44/53/483704453.db2.gz OWTWCDNSKOQENG-AWEZNQCLSA-N 0 3 354.451 -0.896 50 0 FBAAHN CS(=O)(=O)N1CCO[C@H](CNCC(=O)NCc2ccccc2F)C1 ZINC000065496053 205354697 /nfs/dbraw/zinc/35/46/97/205354697.db2.gz OENKTJPKIBVNRB-CYBMUJFWSA-N 0 3 359.423 -0.308 50 0 FBAAHN CS(=O)(=O)N1CCO[C@@H](CNCC(=O)NCc2ccccc2F)C1 ZINC000065496058 205355751 /nfs/dbraw/zinc/35/57/51/205355751.db2.gz OENKTJPKIBVNRB-ZDUSSCGKSA-N 0 3 359.423 -0.308 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CSCN1C)C2 ZINC000065500145 221227017 /nfs/dbraw/zinc/22/70/17/221227017.db2.gz RJTZBTALSGWSGK-AWEZNQCLSA-N 0 3 366.491 -0.479 50 0 FBAAHN CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000067447309 221253805 /nfs/dbraw/zinc/25/38/05/221253805.db2.gz MHGWISPZTXGAMN-JSGCOSHPSA-N 0 3 353.444 -0.167 50 0 FBAAHN CN1CCC2(CC1)CN(C(=O)CN1C(=O)NC(=O)C1(C)C)CCN2C ZINC000067473315 483713612 /nfs/dbraw/zinc/71/36/12/483713612.db2.gz YFGUDDREGVGWOB-UHFFFAOYSA-N 0 3 351.451 -0.445 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1cccn(C)c1=O)C2 ZINC000067540046 208707323 /nfs/dbraw/zinc/70/73/23/208707323.db2.gz FEYIEFUAEBEPKK-UHFFFAOYSA-N 0 3 372.429 -0.471 50 0 FBAAHN CN(C)c1nc2c(c(N[C@H]3COC[C@@H]3N3CCN(C)CC3)n1)CCNC2 ZINC000067588408 221261460 /nfs/dbraw/zinc/26/14/60/221261460.db2.gz GUVWMSRAHHNPPR-HOTGVXAUSA-N 0 3 361.494 -0.385 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 ZINC000067588496 221261369 /nfs/dbraw/zinc/26/13/69/221261369.db2.gz IPYVXAQVHOGYTR-GFCCVEGCSA-N 0 3 362.434 -0.957 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CCC(=O)NC1)C2 ZINC000067588497 205376091 /nfs/dbraw/zinc/37/60/91/205376091.db2.gz IPYVXAQVHOGYTR-LBPRGKRZSA-N 0 3 362.434 -0.957 50 0 FBAAHN Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 ZINC000067603570 205376584 /nfs/dbraw/zinc/37/65/84/205376584.db2.gz HCFWFIZALBIUNG-UHFFFAOYSA-N 0 3 370.479 -0.450 50 0 FBAAHN CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-n2cnnn2)ccc1[O-] ZINC000067642602 483714969 /nfs/dbraw/zinc/71/49/69/483714969.db2.gz YZYLPELGAHBTPZ-RISCZKNCSA-N 0 3 373.417 -0.222 50 0 FBAAHN CN1CCN([C@H]2CN(C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)CC1 ZINC000067650171 483714837 /nfs/dbraw/zinc/71/48/37/483714837.db2.gz TXCLLJCXIPUEAR-OALUTQOASA-N 0 3 373.501 -0.021 50 0 FBAAHN CCn1c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CCN(C)C)c1=O ZINC000067673919 221267879 /nfs/dbraw/zinc/26/78/79/221267879.db2.gz UPAIMWLHTFLLFU-CYBMUJFWSA-N 0 3 374.511 -0.388 50 0 FBAAHN CCn1c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nn(CCN(C)C)c1=O ZINC000067673920 221267777 /nfs/dbraw/zinc/26/77/77/221267777.db2.gz UPAIMWLHTFLLFU-ZDUSSCGKSA-N 0 3 374.511 -0.388 50 0 FBAAHN CN1CCC2(CC1)CN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)CCN2C ZINC000067674346 221268040 /nfs/dbraw/zinc/26/80/40/221268040.db2.gz ZIQACCOEVGAFAY-OAHLLOKOSA-N 0 3 351.495 -0.578 50 0 FBAAHN CN1CCC2(CC1)CN(C(=O)[C@H]1CCCN(CC(N)=O)C1)CCN2C ZINC000067674347 221267453 /nfs/dbraw/zinc/26/74/53/221267453.db2.gz ZIQACCOEVGAFAY-HNNXBMFYSA-N 0 3 351.495 -0.578 50 0 FBAAHN CCN(CC)Cc1cnc2c(C(=O)NCCS(=O)(=O)NC)cnn2c1 ZINC000067689058 483715460 /nfs/dbraw/zinc/71/54/60/483715460.db2.gz JMGLKIVEIFVCEE-UHFFFAOYSA-N 0 3 368.463 -0.150 50 0 FBAAHN COCCN1CCC[C@](O)(CN2CCC(O)(Cn3ccnc3)CC2)C1=O ZINC000067691352 205384242 /nfs/dbraw/zinc/38/42/42/205384242.db2.gz RUGXFLOSIKICKG-SFHVURJKSA-N 0 3 366.462 -0.290 50 0 FBAAHN COCCN1CCC[C@@](O)(CN2CCC(O)(Cn3ccnc3)CC2)C1=O ZINC000067691355 221271711 /nfs/dbraw/zinc/27/17/11/221271711.db2.gz RUGXFLOSIKICKG-GOSISDBHSA-N 0 3 366.462 -0.290 50 0 FBAAHN COc1ccc(F)c(CN2CCC[C@](O)(CNC(CO)CO)C2=O)c1 ZINC000067692330 221271592 /nfs/dbraw/zinc/27/15/92/221271592.db2.gz MMZYVILXQVXCFJ-KRWDZBQOSA-N 0 3 356.394 -0.369 50 0 FBAAHN COc1ccc(F)c(CN2CCC[C@@](O)(CNC(CO)CO)C2=O)c1 ZINC000067692333 221272051 /nfs/dbraw/zinc/27/20/51/221272051.db2.gz MMZYVILXQVXCFJ-QGZVFWFLSA-N 0 3 356.394 -0.369 50 0 FBAAHN COCCN1CCC[C@@](O)(CN2CCC3(CC2)NC(C)=NC3=O)C1=O ZINC000067696778 483715570 /nfs/dbraw/zinc/71/55/70/483715570.db2.gz DCKVVHSDBDYFLI-QGZVFWFLSA-N 0 3 352.435 -0.631 50 0 FBAAHN COCCN1CCC[C@](O)(CN2CCC3(CC2)NC(C)=NC3=O)C1=O ZINC000067696781 221273992 /nfs/dbraw/zinc/27/39/92/221273992.db2.gz DCKVVHSDBDYFLI-KRWDZBQOSA-N 0 3 352.435 -0.631 50 0 FBAAHN CN1CCN(C(=O)c2cc3n(n2)CCN(C(=O)Cc2c[nH]cn2)C3)CC1 ZINC000067788493 221286235 /nfs/dbraw/zinc/28/62/35/221286235.db2.gz CTBCCTZFJKEWEG-UHFFFAOYSA-N 0 3 357.418 -0.421 50 0 FBAAHN CN(C)CCNC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(=O)n(C)c1)C2 ZINC000067841862 205395441 /nfs/dbraw/zinc/39/54/41/205395441.db2.gz IQCKYFJQFJFGLO-UHFFFAOYSA-N 0 3 372.429 -0.471 50 0 FBAAHN CC(C)[C@H](NC(=O)c1cccc2nnnn21)c1nnc2n1CCNCC2 ZINC000067843292 221293646 /nfs/dbraw/zinc/29/36/46/221293646.db2.gz IIHIMTXVWDDSFJ-AWEZNQCLSA-N 0 3 355.406 -0.011 50 0 FBAAHN CC(C)[C@@H](NC(=O)c1cccc2nnnn21)c1nnc2n1CCNCC2 ZINC000067843298 221293599 /nfs/dbraw/zinc/29/35/99/221293599.db2.gz IIHIMTXVWDDSFJ-CQSZACIVSA-N 0 3 355.406 -0.011 50 0 FBAAHN CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(-n2cnnn2)ccc1[O-] ZINC000067854835 221295041 /nfs/dbraw/zinc/29/50/41/221295041.db2.gz YZYLPELGAHBTPZ-FZMZJTMJSA-N 0 3 373.417 -0.222 50 0 FBAAHN CS(=O)(=O)c1cccc(C(=O)NCCc2nnc3n2CCNCC3)c1 ZINC000067881148 483715511 /nfs/dbraw/zinc/71/55/11/483715511.db2.gz PZPXTHWAASFPEZ-UHFFFAOYSA-N 0 3 363.443 -0.200 50 0 FBAAHN CC(C)(C)CN1CCC[C@](O)(C[NH2+]CCc2c[nH]c(=O)[n-]c2=O)C1=O ZINC000067881788 221300071 /nfs/dbraw/zinc/30/00/71/221300071.db2.gz VIMCHYYVRQEWKM-KRWDZBQOSA-N 0 3 352.435 -0.405 50 0 FBAAHN CC(C)(C)CN1CCC[C@@](O)(C[NH2+]CCc2c[nH]c(=O)[n-]c2=O)C1=O ZINC000067881791 483715603 /nfs/dbraw/zinc/71/56/03/483715603.db2.gz VIMCHYYVRQEWKM-QGZVFWFLSA-N 0 3 352.435 -0.405 50 0 FBAAHN Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)CN2)c(=O)n1 ZINC000067894571 221303004 /nfs/dbraw/zinc/30/30/04/221303004.db2.gz UAHRNCFJXNBOLW-KGLIPLIRSA-N 0 3 373.413 -0.270 50 0 FBAAHN CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000067894924 221302650 /nfs/dbraw/zinc/30/26/50/221302650.db2.gz MHGWISPZTXGAMN-OCCSQVGLSA-N 0 3 353.444 -0.167 50 0 FBAAHN C[N@H+]1CCCN(c2ncccc2CNC(=O)Cc2cc(=O)[n-]c(N)n2)CC1 ZINC000067896522 221302058 /nfs/dbraw/zinc/30/20/58/221302058.db2.gz CDFBHGJNFRBXFO-UHFFFAOYSA-N 0 3 371.445 -0.252 50 0 FBAAHN C[N@@H+]1CCCN(c2ncccc2CNC(=O)Cc2cc(=O)[n-]c(N)n2)CC1 ZINC000067896522 221302054 /nfs/dbraw/zinc/30/20/54/221302054.db2.gz CDFBHGJNFRBXFO-UHFFFAOYSA-N 0 3 371.445 -0.252 50 0 FBAAHN O=C(CNC[C@@]1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1 ZINC000067908313 221303558 /nfs/dbraw/zinc/30/35/58/221303558.db2.gz ZHBHOOZWIPCVOL-FQEVSTJZSA-N 0 3 374.485 -0.396 50 0 FBAAHN O=C(CNC[C@]1(O)CCCN(CCc2ccccc2)C1=O)N1CCNCC1 ZINC000067908315 483716520 /nfs/dbraw/zinc/71/65/20/483716520.db2.gz ZHBHOOZWIPCVOL-HXUWFJFHSA-N 0 3 374.485 -0.396 50 0 FBAAHN CCn1c([C@@H]2CCCN(C(=O)C3(N)CC3)C2)nn(CCN(C)C)c1=O ZINC000067908807 221303841 /nfs/dbraw/zinc/30/38/41/221303841.db2.gz PUUJJJMUWSFHSX-CYBMUJFWSA-N 0 3 350.467 -0.176 50 0 FBAAHN CCn1c([C@H]2CCCN(C(=O)C3(N)CC3)C2)nn(CCN(C)C)c1=O ZINC000067908809 483716051 /nfs/dbraw/zinc/71/60/51/483716051.db2.gz PUUJJJMUWSFHSX-ZDUSSCGKSA-N 0 3 350.467 -0.176 50 0 FBAAHN CN1CCN(c2ncccc2CNC(=O)C2CCN(CC(N)=O)CC2)CC1 ZINC000067934807 483715895 /nfs/dbraw/zinc/71/58/95/483715895.db2.gz BMTCWMTYLQYUQH-UHFFFAOYSA-N 0 3 374.489 -0.353 50 0 FBAAHN CN1CCC2(CC1)CN(C(=O)[C@@H]1CCCN1S(C)(=O)=O)CCN2C ZINC000067935163 221306231 /nfs/dbraw/zinc/30/62/31/221306231.db2.gz XAVRHOBGSJZNNI-AWEZNQCLSA-N 0 3 358.508 -0.351 50 0 FBAAHN CN1CCC2(CC1)CN(C(=O)[C@H]1CCCN1S(C)(=O)=O)CCN2C ZINC000067935164 483716526 /nfs/dbraw/zinc/71/65/26/483716526.db2.gz XAVRHOBGSJZNNI-CQSZACIVSA-N 0 3 358.508 -0.351 50 0 FBAAHN CN1CCCN(c2ncccc2CNC(=O)CNS(C)(=O)=O)CC1 ZINC000067947499 483716031 /nfs/dbraw/zinc/71/60/31/483716031.db2.gz IRQSYOSMBJBEJA-UHFFFAOYSA-N 0 3 355.464 -0.611 50 0 FBAAHN Cn1nnnc1SCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1 ZINC000067983145 483716314 /nfs/dbraw/zinc/71/63/14/483716314.db2.gz LBONSBOYXHEPTE-UHFFFAOYSA-N 0 3 353.496 -0.069 50 0 FBAAHN CNS(=O)(=O)c1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000071747256 483724710 /nfs/dbraw/zinc/72/47/10/483724710.db2.gz JOAMBVZFOZLJLF-IRXDYDNUSA-N 0 3 368.503 -0.613 50 0 FBAAHN Cc1cc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c(C)n1-n1cnnc1 ZINC000071752676 483724636 /nfs/dbraw/zinc/72/46/36/483724636.db2.gz SAZZCFUHNBIJQW-ROUUACIJSA-N 0 3 359.478 -0.200 50 0 FBAAHN CN1CCC(C(=O)NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000072144135 483727892 /nfs/dbraw/zinc/72/78/92/483727892.db2.gz DFVMMQGHYXWIGT-MRXNPFEDSA-N 0 3 363.462 -0.166 50 0 FBAAHN CN1CCC(C(=O)NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)CC1 ZINC000072144136 483728402 /nfs/dbraw/zinc/72/84/02/483728402.db2.gz DFVMMQGHYXWIGT-INIZCTEOSA-N 0 3 363.462 -0.166 50 0 FBAAHN CCc1cc(N2CCN[C@H](C(=O)NC3CC3)C2)nc(N2CCOCC2)n1 ZINC000072144606 483728077 /nfs/dbraw/zinc/72/80/77/483728077.db2.gz OYZHHIMLXHAGMG-HNNXBMFYSA-N 0 3 360.462 -0.068 50 0 FBAAHN CCc1cc(N2CCN[C@@H](C(=O)NC3CC3)C2)nc(N2CCOCC2)n1 ZINC000072144608 483728293 /nfs/dbraw/zinc/72/82/93/483728293.db2.gz OYZHHIMLXHAGMG-OAHLLOKOSA-N 0 3 360.462 -0.068 50 0 FBAAHN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@]3(C2)CNCCOC3)n1C ZINC000072147525 483727667 /nfs/dbraw/zinc/72/76/67/483727667.db2.gz COLJCQUSOGVDAO-OAHLLOKOSA-N 0 3 373.431 -0.809 50 0 FBAAHN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@]3(C2)CNCCOC3)n1C ZINC000072147526 483728375 /nfs/dbraw/zinc/72/83/75/483728375.db2.gz COLJCQUSOGVDAO-HNNXBMFYSA-N 0 3 373.431 -0.809 50 0 FBAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)CCCS(N)(=O)=O)CC2)[C@H]1O ZINC000072165162 483728720 /nfs/dbraw/zinc/72/87/20/483728720.db2.gz AOPHOXAWUMIICA-CVEARBPZSA-N 0 3 367.471 -0.010 50 0 FBAAHN CS(=O)(=O)NCCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O ZINC000072169213 483729151 /nfs/dbraw/zinc/72/91/51/483729151.db2.gz ZAAVOJMJTLWRPW-CVEARBPZSA-N 0 3 367.471 -0.140 50 0 FBAAHN CS(=O)(=O)NCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O ZINC000072173782 483729115 /nfs/dbraw/zinc/72/91/15/483729115.db2.gz LGHIXLFWXNUZKN-CABCVRRESA-N 0 3 353.444 -0.530 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(CCOCCO)C1 ZINC000072408276 571191436 /nfs/dbraw/zinc/19/14/36/571191436.db2.gz DXYIVFMKCIOTKM-OAHLLOKOSA-N 0 3 367.494 -0.040 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(CCOCCO)C1 ZINC000072408277 571191456 /nfs/dbraw/zinc/19/14/56/571191456.db2.gz DXYIVFMKCIOTKM-HNNXBMFYSA-N 0 3 367.494 -0.040 50 0 FBAAHN O=C([C@@H]1NCCc2nc[nH]c21)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000072409676 136145305 /nfs/dbraw/zinc/14/53/05/136145305.db2.gz SUOSPYRABBJMEL-GFCCVEGCSA-N 0 3 353.390 -0.388 50 0 FBAAHN O=C([C@H]1NCCc2nc[nH]c21)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000072409677 136145245 /nfs/dbraw/zinc/14/52/45/136145245.db2.gz SUOSPYRABBJMEL-LBPRGKRZSA-N 0 3 353.390 -0.388 50 0 FBAAHN CNCC(=O)N1CCn2nc(CN3CCN(c4ncccn4)CC3)cc2C1 ZINC000072418066 136145760 /nfs/dbraw/zinc/14/57/60/136145760.db2.gz KJVRIDBPWADWIR-UHFFFAOYSA-N 0 3 370.461 -0.443 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000072420008 483729644 /nfs/dbraw/zinc/72/96/44/483729644.db2.gz DYWDBDWMNIJHBL-UHFFFAOYSA-N 0 3 354.451 -0.570 50 0 FBAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCN(CCn2cncn2)CC1 ZINC000072427029 571194440 /nfs/dbraw/zinc/19/44/40/571194440.db2.gz AZGFEEXLQBQZSU-UHFFFAOYSA-N 0 3 372.477 -0.255 50 0 FBAAHN CN[C@@H](CO)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072428958 536354964 /nfs/dbraw/zinc/35/49/64/536354964.db2.gz NVGAUDQZYDUHGC-INIZCTEOSA-N 0 3 363.462 -0.092 50 0 FBAAHN CN(C)CCNc1nc(N)nc2c1CCN(S(=O)(=O)N(C)C)CC2 ZINC000072431168 571195639 /nfs/dbraw/zinc/19/56/39/571195639.db2.gz AHWAPUNONHQMJP-UHFFFAOYSA-N 0 3 357.484 -0.761 50 0 FBAAHN C[C@@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1 ZINC000072433202 571196113 /nfs/dbraw/zinc/19/61/13/571196113.db2.gz PZGPBVKOUPJDTE-ZDUSSCGKSA-N 0 3 364.446 -0.425 50 0 FBAAHN C[C@H](C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1 ZINC000072433203 208861625 /nfs/dbraw/zinc/86/16/25/208861625.db2.gz PZGPBVKOUPJDTE-CYBMUJFWSA-N 0 3 364.446 -0.425 50 0 FBAAHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000072433359 221525491 /nfs/dbraw/zinc/52/54/91/221525491.db2.gz HKYRKHFVBBXPIK-CYBMUJFWSA-N 0 3 364.446 -0.127 50 0 FBAAHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC([C@H](C)N2CCOCC2)CC1 ZINC000072433360 571196095 /nfs/dbraw/zinc/19/60/95/571196095.db2.gz HKYRKHFVBBXPIK-ZDUSSCGKSA-N 0 3 364.446 -0.127 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(C(CO)CO)C1 ZINC000072435318 571196302 /nfs/dbraw/zinc/19/63/02/571196302.db2.gz PQHGOOAKMSSGLG-CYBMUJFWSA-N 0 3 353.467 -0.696 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(C(CO)CO)C1 ZINC000072435321 571196344 /nfs/dbraw/zinc/19/63/44/571196344.db2.gz PQHGOOAKMSSGLG-ZDUSSCGKSA-N 0 3 353.467 -0.696 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C[C@H](O)CO)CC3)OC2=O)CC1 ZINC000072435604 571196287 /nfs/dbraw/zinc/19/62/87/571196287.db2.gz UXTBKWBXDPHLLF-INIZCTEOSA-N 0 3 370.494 -0.736 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C[C@@H](O)CO)CC3)OC2=O)CC1 ZINC000072435607 571196317 /nfs/dbraw/zinc/19/63/17/571196317.db2.gz UXTBKWBXDPHLLF-MRXNPFEDSA-N 0 3 370.494 -0.736 50 0 FBAAHN COCCCN1C(=O)CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@H]21 ZINC000072435896 483730161 /nfs/dbraw/zinc/73/01/61/483730161.db2.gz VJLFXWWJYZORCZ-JKSUJKDBSA-N 0 3 352.479 -0.232 50 0 FBAAHN COc1ccc(S(=O)(=O)N2CCN([C@H]3CN(C)C[C@@H]3O)CC2)cc1 ZINC000072436031 483730485 /nfs/dbraw/zinc/73/04/85/483730485.db2.gz JQYQXBGHQODWAA-HOTGVXAUSA-N 0 3 355.460 -0.324 50 0 FBAAHN Cc1cc(N2CCN(C(=O)CCc3cc4n(n3)CCNC4)CC2)nc(N)n1 ZINC000072436539 136147378 /nfs/dbraw/zinc/14/73/78/136147378.db2.gz MFCORKSAZYUICZ-UHFFFAOYSA-N 0 3 370.461 -0.052 50 0 FBAAHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000072437872 483730290 /nfs/dbraw/zinc/73/02/90/483730290.db2.gz XXTBTTBMBFTURM-HNNXBMFYSA-N 0 3 360.524 -0.198 50 0 FBAAHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCN(C)CC2)C1 ZINC000072437873 483730083 /nfs/dbraw/zinc/73/00/83/483730083.db2.gz XXTBTTBMBFTURM-OAHLLOKOSA-N 0 3 360.524 -0.198 50 0 FBAAHN CN1CCC(N2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)CC1 ZINC000072438337 536340061 /nfs/dbraw/zinc/34/00/61/536340061.db2.gz LHBVTLBFHHHDRS-INIZCTEOSA-N 0 3 364.494 -0.152 50 0 FBAAHN Cn1nnnc1SCCNC(=O)CCc1cc2n(n1)CCCNC2 ZINC000072439286 483730423 /nfs/dbraw/zinc/73/04/23/483730423.db2.gz NMODAHYXALWGQJ-UHFFFAOYSA-N 0 3 350.452 -0.259 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(CO)CO)CC3)OC2=O)CC1 ZINC000072453561 483730572 /nfs/dbraw/zinc/73/05/72/483730572.db2.gz HWDCBXRTQKSBSX-UHFFFAOYSA-N 0 3 370.494 -0.736 50 0 FBAAHN NC1=NC(=O)C2(CCN(C(=O)CCc3cc4n(n3)CCCNC4)CC2)N1 ZINC000072457735 483730441 /nfs/dbraw/zinc/73/04/41/483730441.db2.gz UPRWTMCGRDDNBK-UHFFFAOYSA-N 0 3 359.434 -0.885 50 0 FBAAHN O=C(CCc1cc2n(n1)CCCNC2)NCCS(=O)(=O)N1CCCC1 ZINC000072462878 483730459 /nfs/dbraw/zinc/73/04/59/483730459.db2.gz WLVASZVDKIIVDQ-UHFFFAOYSA-N 0 3 369.491 -0.149 50 0 FBAAHN CS(=O)(=O)N1CCC(NC(=O)CCc2cc3n(n2)CCCNC3)CC1 ZINC000072463456 208868910 /nfs/dbraw/zinc/86/89/10/208868910.db2.gz RPNGQJWTNZOHEZ-UHFFFAOYSA-N 0 3 369.491 -0.151 50 0 FBAAHN Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(CCOCCO)C1 ZINC000072472948 483730117 /nfs/dbraw/zinc/73/01/17/483730117.db2.gz LCOSNJWJJACFKC-OAHLLOKOSA-N 0 3 353.467 -0.164 50 0 FBAAHN Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(CCOCCO)C1 ZINC000072472949 483730613 /nfs/dbraw/zinc/73/06/13/483730613.db2.gz LCOSNJWJJACFKC-HNNXBMFYSA-N 0 3 353.467 -0.164 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(=O)[C@@H](C)O)CC3)OC2=O)CC1 ZINC000072473377 483730134 /nfs/dbraw/zinc/73/01/34/483730134.db2.gz DZYYLIMLHDNLRJ-OAHLLOKOSA-N 0 3 368.478 -0.182 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(=O)[C@H](C)O)CC3)OC2=O)CC1 ZINC000072473378 483730247 /nfs/dbraw/zinc/73/02/47/483730247.db2.gz DZYYLIMLHDNLRJ-HNNXBMFYSA-N 0 3 368.478 -0.182 50 0 FBAAHN Cc1cn(CC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000072475776 483730281 /nfs/dbraw/zinc/73/02/81/483730281.db2.gz UKIWJPGBXDAESQ-CQSZACIVSA-N 0 3 364.446 -0.196 50 0 FBAAHN Cc1cn(CC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000072475777 483730524 /nfs/dbraw/zinc/73/05/24/483730524.db2.gz UKIWJPGBXDAESQ-AWEZNQCLSA-N 0 3 364.446 -0.196 50 0 FBAAHN CNCC(=O)N1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072476525 483730301 /nfs/dbraw/zinc/73/03/01/483730301.db2.gz MDSONKKMZYNOHB-ZDUSSCGKSA-N 0 3 350.467 -0.303 50 0 FBAAHN CNCC(=O)N1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072476526 483730392 /nfs/dbraw/zinc/73/03/92/483730392.db2.gz MDSONKKMZYNOHB-CYBMUJFWSA-N 0 3 350.467 -0.303 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCCN(CCC(N)=O)C1 ZINC000072479204 483730955 /nfs/dbraw/zinc/73/09/55/483730955.db2.gz XPRIOHIYDWJOQO-CYBMUJFWSA-N 0 3 350.467 -0.173 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCCN(CCC(N)=O)C1 ZINC000072479205 483730944 /nfs/dbraw/zinc/73/09/44/483730944.db2.gz XPRIOHIYDWJOQO-ZDUSSCGKSA-N 0 3 350.467 -0.173 50 0 FBAAHN CN(C)CCN1C[C@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000073352457 571200980 /nfs/dbraw/zinc/20/09/80/571200980.db2.gz QKJKWCHVCFRFDL-OAHLLOKOSA-N 0 3 360.462 -0.075 50 0 FBAAHN CN(C)CCN1C[C@@H](C(=O)N2CCCN(c3ncccn3)CC2)CC1=O ZINC000073352458 571201056 /nfs/dbraw/zinc/20/10/56/571201056.db2.gz QKJKWCHVCFRFDL-HNNXBMFYSA-N 0 3 360.462 -0.075 50 0 FBAAHN CN(C)CCN1C[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)CC1=O ZINC000074221545 484472988 /nfs/dbraw/zinc/47/29/88/484472988.db2.gz QPEIQLVENYRKEU-QGZVFWFLSA-N 0 3 366.506 -0.033 50 0 FBAAHN CN(C)CCN1C[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)CC1=O ZINC000074221548 484473232 /nfs/dbraw/zinc/47/32/32/484473232.db2.gz QPEIQLVENYRKEU-KRWDZBQOSA-N 0 3 366.506 -0.033 50 0 FBAAHN C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C1 ZINC000077287344 483743811 /nfs/dbraw/zinc/74/38/11/483743811.db2.gz WVKAHXOLDXGNIS-CYBMUJFWSA-N 0 3 366.487 -0.145 50 0 FBAAHN Cn1ncc(N2CCC(CNC(=O)[C@@H](N)Cc3cnc[nH]3)CC2)cc1=O ZINC000077287728 132179811 /nfs/dbraw/zinc/17/98/11/132179811.db2.gz AUWMXWRWXCGBIE-HNNXBMFYSA-N 0 3 359.434 -0.594 50 0 FBAAHN Cn1ncc(N2CCC(CNC(=O)[C@@H](N)Cc3c[nH]cn3)CC2)cc1=O ZINC000077287728 132179808 /nfs/dbraw/zinc/17/98/08/132179808.db2.gz AUWMXWRWXCGBIE-HNNXBMFYSA-N 0 3 359.434 -0.594 50 0 FBAAHN CN1CCC(O)(C(=O)N2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)CC1 ZINC000077298356 483743896 /nfs/dbraw/zinc/74/38/96/483743896.db2.gz WHJBIMULXWMYSP-HUUCEWRRSA-N 0 3 362.430 -0.770 50 0 FBAAHN Cn1ncc(N2CC[C@H](CNC(=O)C3CCN(CCO)CC3)C2)cc1=O ZINC000077300806 483744059 /nfs/dbraw/zinc/74/40/59/483744059.db2.gz HRRIPTILEVCRDS-CQSZACIVSA-N 0 3 363.462 -0.573 50 0 FBAAHN Cn1ncc(N2CC[C@@H](CNC(=O)C3CCN(CCO)CC3)C2)cc1=O ZINC000077300809 483743986 /nfs/dbraw/zinc/74/39/86/483743986.db2.gz HRRIPTILEVCRDS-AWEZNQCLSA-N 0 3 363.462 -0.573 50 0 FBAAHN CCN1CCN(C(=O)CN(C)C2CCN(C)CC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077320755 483744754 /nfs/dbraw/zinc/74/47/54/483744754.db2.gz DHGKICRDNQXHPD-CVEARBPZSA-N 0 3 372.535 -0.658 50 0 FBAAHN O=C([C@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@@H]13)O2)N1CC(O)C1 ZINC000077323130 483744544 /nfs/dbraw/zinc/74/45/44/483744544.db2.gz UDIXBFTTZACECU-GGXPGOJBSA-N 0 3 361.442 -0.543 50 0 FBAAHN O=C([C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@@H]13)O2)N1CC(O)C1 ZINC000077323131 483744697 /nfs/dbraw/zinc/74/46/97/483744697.db2.gz UDIXBFTTZACECU-MKSNKDDYSA-N 0 3 361.442 -0.543 50 0 FBAAHN O=C([C@@H]1[C@H]2C(=O)N(CCN3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(O)C1 ZINC000077323133 483744635 /nfs/dbraw/zinc/74/46/35/483744635.db2.gz UDIXBFTTZACECU-FPXQBCRKSA-N 0 3 361.442 -0.543 50 0 FBAAHN O=C([C@H]1[C@H]2C(=O)N(CCN3CCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC(O)C1 ZINC000077323136 483744663 /nfs/dbraw/zinc/74/46/63/483744663.db2.gz UDIXBFTTZACECU-RCJHGTSTSA-N 0 3 361.442 -0.543 50 0 FBAAHN CN1CCN(C)[C@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077342199 132182203 /nfs/dbraw/zinc/18/22/03/132182203.db2.gz BLKLYGRYAXHOMW-OAHLLOKOSA-N 0 3 374.489 -0.166 50 0 FBAAHN Cn1ncc(N2CC[C@H](CNC(=O)CN3CCCN(C)CC3)C2)cc1=O ZINC000077355805 483744518 /nfs/dbraw/zinc/74/45/18/483744518.db2.gz AMNZLXJNIJUSSO-OAHLLOKOSA-N 0 3 362.478 -0.640 50 0 FBAAHN Cn1ncc(N2CC[C@@H](CNC(=O)CN3CCCN(C)CC3)C2)cc1=O ZINC000077355808 483744684 /nfs/dbraw/zinc/74/46/84/483744684.db2.gz AMNZLXJNIJUSSO-HNNXBMFYSA-N 0 3 362.478 -0.640 50 0 FBAAHN CN(C)CCN(C)c1nccc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)n1 ZINC000077357707 535854789 /nfs/dbraw/zinc/85/47/89/535854789.db2.gz LFFJKIJMQDGKBR-QWHCGFSZSA-N 0 3 354.480 -0.950 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1C1CCN(CCOCCO)CC1 ZINC000077377048 483744538 /nfs/dbraw/zinc/74/45/38/483744538.db2.gz ZZURKWXQXZOFBM-UHFFFAOYSA-N 0 3 367.494 -0.040 50 0 FBAAHN Cc1nn(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(=O)n1CCc1ccccc1 ZINC000077393492 483745564 /nfs/dbraw/zinc/74/55/64/483745564.db2.gz MISFCUKIDNAQEO-IRXDYDNUSA-N 0 3 373.457 -0.271 50 0 FBAAHN Nc1cc(=O)[n-]c(CCNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)n1 ZINC000077408025 483745301 /nfs/dbraw/zinc/74/53/01/483745301.db2.gz XZOBDKRNCURHAH-NSHDSACASA-N 0 3 360.422 -0.552 50 0 FBAAHN Nc1cc(=O)[n-]c(CCNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)n1 ZINC000077408026 483745178 /nfs/dbraw/zinc/74/51/78/483745178.db2.gz XZOBDKRNCURHAH-LLVKDONJSA-N 0 3 360.422 -0.552 50 0 FBAAHN CNCC(=O)N1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077420756 483745774 /nfs/dbraw/zinc/74/57/74/483745774.db2.gz ZMIZVKSIABQPCG-UHFFFAOYSA-N 0 3 350.467 -0.303 50 0 FBAAHN CN(CCO)C(=O)[C@H]1[C@H]2C(=O)N(CCN3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077428439 483745502 /nfs/dbraw/zinc/74/55/02/483745502.db2.gz GIRYHIBDXRXNMJ-RCJHGTSTSA-N 0 3 363.458 -0.295 50 0 FBAAHN CN(CCO)C(=O)[C@@H]1[C@H]2C(=O)N(CCN3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077428445 483745704 /nfs/dbraw/zinc/74/57/04/483745704.db2.gz GIRYHIBDXRXNMJ-FPXQBCRKSA-N 0 3 363.458 -0.295 50 0 FBAAHN CN(CCO)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077428448 483745604 /nfs/dbraw/zinc/74/56/04/483745604.db2.gz GIRYHIBDXRXNMJ-MKSNKDDYSA-N 0 3 363.458 -0.295 50 0 FBAAHN CN(CCO)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CCN4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077428455 483745261 /nfs/dbraw/zinc/74/52/61/483745261.db2.gz GIRYHIBDXRXNMJ-GGXPGOJBSA-N 0 3 363.458 -0.295 50 0 FBAAHN COCCN(C)CCN1CC2(CCN(C(=O)C3(N)CC3)CC2)OC1=O ZINC000077438626 483746379 /nfs/dbraw/zinc/74/63/79/483746379.db2.gz QDDSYPLNLYORPA-UHFFFAOYSA-N 0 3 354.451 -0.131 50 0 FBAAHN CN1CCCN(c2nccc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)n2)CC1 ZINC000077452268 536361008 /nfs/dbraw/zinc/36/10/08/536361008.db2.gz ZBGXVRSIAZYCJY-UONOGXRCSA-N 0 3 366.491 -0.806 50 0 FBAAHN Cc1nc(C)c(CC(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)c(=O)[n-]1 ZINC000077470064 483746568 /nfs/dbraw/zinc/74/65/68/483746568.db2.gz CSVRHXCSAGXYJD-SFHVURJKSA-N 0 3 364.446 -0.385 50 0 FBAAHN Cc1nc(C)c(CC(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)c(=O)[n-]1 ZINC000077470065 483746422 /nfs/dbraw/zinc/74/64/22/483746422.db2.gz CSVRHXCSAGXYJD-GOSISDBHSA-N 0 3 364.446 -0.385 50 0 FBAAHN C[C@@H](N)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc2C1 ZINC000077472241 483746842 /nfs/dbraw/zinc/74/68/42/483746842.db2.gz LBQJMVBUYUQTKR-GFCCVEGCSA-N 0 3 353.444 -0.061 50 0 FBAAHN C[C@@H](C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)N1CCN(C)CC1 ZINC000077486150 483747125 /nfs/dbraw/zinc/74/71/25/483747125.db2.gz SCYNYYLTKSVPNJ-AWEZNQCLSA-N 0 3 363.462 -0.589 50 0 FBAAHN C[C@H](C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)N1CCN(C)CC1 ZINC000077486152 483747138 /nfs/dbraw/zinc/74/71/38/483747138.db2.gz SCYNYYLTKSVPNJ-CQSZACIVSA-N 0 3 363.462 -0.589 50 0 FBAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1 ZINC000077486591 483747206 /nfs/dbraw/zinc/74/72/06/483747206.db2.gz VOKOFEKVYRHUNU-UHFFFAOYSA-N 0 3 367.494 -0.214 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)C2(N)CC2)CC1 ZINC000077487221 483746745 /nfs/dbraw/zinc/74/67/45/483746745.db2.gz OOYUOTXZTIWLOC-UHFFFAOYSA-N 0 3 362.478 -0.031 50 0 FBAAHN CC(C)N1CCN(CCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000077503723 483746699 /nfs/dbraw/zinc/74/66/99/483746699.db2.gz QXKMEQXVRQZZPJ-UHFFFAOYSA-N 0 3 368.478 -0.182 50 0 FBAAHN CCN1CCN(CCCN2CC3(CCN(C(=O)CO)CC3)OC2=O)CC1 ZINC000077504764 483746930 /nfs/dbraw/zinc/74/69/30/483746930.db2.gz MTAXGPXDXSHUAQ-UHFFFAOYSA-N 0 3 368.478 -0.180 50 0 FBAAHN CC(C)N1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1 ZINC000077505493 483747258 /nfs/dbraw/zinc/74/72/58/483747258.db2.gz AKTYEBKZWSMFSH-UHFFFAOYSA-N 0 3 367.494 -0.216 50 0 FBAAHN CN(C)[C@@H]1CCN(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077520156 132188811 /nfs/dbraw/zinc/18/88/11/132188811.db2.gz ZLYQUMPHGLCHOQ-OAHLLOKOSA-N 0 3 374.489 -0.166 50 0 FBAAHN CN(C)[C@H]1CCN(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000077520160 132188872 /nfs/dbraw/zinc/18/88/72/132188872.db2.gz ZLYQUMPHGLCHOQ-HNNXBMFYSA-N 0 3 374.489 -0.166 50 0 FBAAHN Cn1c(CN2CCC(O)CC2)nnc1C1CCN(CCC(N)=O)CC1 ZINC000077540134 483746867 /nfs/dbraw/zinc/74/68/67/483746867.db2.gz AHPQJBHPWDHMJJ-UHFFFAOYSA-N 0 3 350.467 -0.173 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1 ZINC000077541713 483747447 /nfs/dbraw/zinc/74/74/47/483747447.db2.gz VAABLBMCNFMRNQ-UHFFFAOYSA-N 0 3 353.467 -0.604 50 0 FBAAHN CCN1CCN(CCN2CC3(CCN(C(=O)[C@@H](C)N)CC3)OC2=O)CC1 ZINC000077555084 483747404 /nfs/dbraw/zinc/74/74/04/483747404.db2.gz FNIOEXJMBVZDCJ-OAHLLOKOSA-N 0 3 367.494 -0.216 50 0 FBAAHN CN(C)CCN1CC2(CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)OC1=O ZINC000077555646 483747663 /nfs/dbraw/zinc/74/76/63/483747663.db2.gz XJYJOTJYVWOGIM-ZDUSSCGKSA-N 0 3 367.450 -0.096 50 0 FBAAHN CN(C)CCN1CC2(CCN(C(=O)[C@H]3CCCN3C(N)=O)CC2)OC1=O ZINC000077555650 483747707 /nfs/dbraw/zinc/74/77/07/483747707.db2.gz XJYJOTJYVWOGIM-CYBMUJFWSA-N 0 3 367.450 -0.096 50 0 FBAAHN Cc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)no1 ZINC000081358251 526862841 /nfs/dbraw/zinc/86/28/41/526862841.db2.gz AALZRJVLAINZQE-CQSZACIVSA-N 0 3 364.450 -0.568 50 0 FBAAHN Cc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)no1 ZINC000081358252 526863622 /nfs/dbraw/zinc/86/36/22/526863622.db2.gz AALZRJVLAINZQE-AWEZNQCLSA-N 0 3 364.450 -0.568 50 0 FBAAHN NC[C@H]1O[C@@H](n2cnc3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000082049647 527241752 /nfs/dbraw/zinc/24/17/52/527241752.db2.gz GHSSKLIKSJXMME-NOSJPKONSA-N 0 3 358.402 -0.488 50 0 FBAAHN NC[C@H]1O[C@@H](n2cnc3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000082049649 527242144 /nfs/dbraw/zinc/24/21/44/527242144.db2.gz GHSSKLIKSJXMME-WDGOXLLCSA-N 0 3 358.402 -0.488 50 0 FBAAHN CCCN1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)n(C)c3=O)cc2C1 ZINC000082106341 519854708 /nfs/dbraw/zinc/85/47/08/519854708.db2.gz NHZYBDOKZGLFKV-UHFFFAOYSA-N 0 3 374.445 -0.255 50 0 FBAAHN Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCc1cc2n(n1)CCNC2 ZINC000082107693 526968016 /nfs/dbraw/zinc/96/80/16/526968016.db2.gz FJOZYGXBWZVJKZ-UHFFFAOYSA-N 0 3 370.461 -0.233 50 0 FBAAHN CC(C)CN1CCCn2nc(CNC(=O)Cc3c[nH]c(=O)[nH]c3=O)cc2C1 ZINC000082126975 519722950 /nfs/dbraw/zinc/72/29/50/519722950.db2.gz ZNIDOYWTPMMBDG-UHFFFAOYSA-N 0 3 374.445 -0.020 50 0 FBAAHN CS(=O)(=O)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136692 483760117 /nfs/dbraw/zinc/76/01/17/483760117.db2.gz LXLPIDMURXVYBQ-AWEZNQCLSA-N 0 3 359.492 -0.019 50 0 FBAAHN CS(=O)(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136693 483759911 /nfs/dbraw/zinc/75/99/11/483759911.db2.gz LXLPIDMURXVYBQ-CQSZACIVSA-N 0 3 359.492 -0.019 50 0 FBAAHN CC(C)CN1CCCn2nc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2C1 ZINC000082160522 519723395 /nfs/dbraw/zinc/72/33/95/519723395.db2.gz IKFMVJKLCFFNDA-UHFFFAOYSA-N 0 3 374.445 -0.089 50 0 FBAAHN CCc1noc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000091327088 483794342 /nfs/dbraw/zinc/79/43/42/483794342.db2.gz CJLAZJNGIPLSHV-OLZOCXBDSA-N 0 3 365.434 -0.625 50 0 FBAAHN CCC[C@H]1CN(CCCO)C[C@@H]1NC(=O)c1cc(=O)n(C)c(=O)n1C ZINC000091391322 521217551 /nfs/dbraw/zinc/21/75/51/521217551.db2.gz ZAIHFKQEWLJTBB-STQMWFEESA-N 0 3 352.435 -0.703 50 0 FBAAHN CN(CCO)C[C@@H]1CN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1CO ZINC000091444463 522884085 /nfs/dbraw/zinc/88/40/85/522884085.db2.gz HPRFSWBKDBLCKT-ZIAGYGMSSA-N 0 3 351.451 -0.391 50 0 FBAAHN COCCN(C)C[C@@H]1CN(C(=O)c2ccc(C)n(C)c2=O)C[C@@H]1CO ZINC000091462063 523620671 /nfs/dbraw/zinc/62/06/71/523620671.db2.gz MCJSJAQMGIPRDH-HUUCEWRRSA-N 0 3 351.447 -0.048 50 0 FBAAHN Cc1nnc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)[nH]1 ZINC000091468251 526806446 /nfs/dbraw/zinc/80/64/46/526806446.db2.gz KBHQKOOWWNNCRE-HUUCEWRRSA-N 0 3 350.467 -0.640 50 0 FBAAHN CN1CCCN(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2CO)CC1 ZINC000091486421 483794467 /nfs/dbraw/zinc/79/44/67/483794467.db2.gz LYKPTDLGKYZOQH-CHWSQXEVSA-N 0 3 353.492 -0.076 50 0 FBAAHN CN(CCO)C[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@@H]1CO ZINC000091503779 522883264 /nfs/dbraw/zinc/88/32/64/522883264.db2.gz PNHHMLRTSPWYSP-ZIAGYGMSSA-N 0 3 350.463 -0.097 50 0 FBAAHN CC(C)(N)C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091519405 483795497 /nfs/dbraw/zinc/79/54/97/483795497.db2.gz JOEPVBZHYXHEBQ-UHFFFAOYSA-N 0 3 355.464 -0.218 50 0 FBAAHN CN(CCO)C[C@@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@@H]1CO ZINC000091551575 522883603 /nfs/dbraw/zinc/88/36/03/522883603.db2.gz BZKWIYZKCCNWFT-CHWSQXEVSA-N 0 3 360.414 -0.472 50 0 FBAAHN NS(=O)(=O)CCCC(=O)N[C@H]1CN(CCO)C[C@@H]1c1ccccc1 ZINC000091563311 657477561 /nfs/dbraw/zinc/47/75/61/657477561.db2.gz LYCFMQLBEQLWRI-CABCVRRESA-N 0 3 355.460 -0.368 50 0 FBAAHN CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)c1C ZINC000091563460 483795102 /nfs/dbraw/zinc/79/51/02/483795102.db2.gz KDYYTGVYIADFGP-HZPDHXFCSA-N 0 3 366.462 -0.306 50 0 FBAAHN CN(CCO)C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1CO ZINC000091574395 522884721 /nfs/dbraw/zinc/88/47/21/522884721.db2.gz SWDFCSYIKCHTLC-VXGBXAGGSA-N 0 3 366.443 -0.639 50 0 FBAAHN NS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(CCO)C[C@@H]2C2CC2)c1 ZINC000091593582 661812237 /nfs/dbraw/zinc/81/22/37/661812237.db2.gz KJEDIOFYOMSVNY-CABCVRRESA-N 0 3 353.444 -0.234 50 0 FBAAHN CCn1cnnc1CCNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 ZINC000091594766 523584714 /nfs/dbraw/zinc/58/47/14/523584714.db2.gz NWPXMFYGGOBDDA-KGLIPLIRSA-N 0 3 364.450 -0.959 50 0 FBAAHN CN1CCN(C[C@@H]2CN(C(=O)c3ccc4nnnn4c3)C[C@@H]2CO)CC1 ZINC000091595753 483795489 /nfs/dbraw/zinc/79/54/89/483795489.db2.gz UYGHDAIMBGHTIL-HUUCEWRRSA-N 0 3 359.434 -0.948 50 0 FBAAHN CCc1n[nH]c(SCC(=O)N2C[C@H](CO)[C@H](CN3CCOCC3)C2)n1 ZINC000091595802 522133313 /nfs/dbraw/zinc/13/33/13/522133313.db2.gz XIKKFUPMRMDYAJ-CHWSQXEVSA-N 0 3 369.491 -0.142 50 0 FBAAHN Nc1nnc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000091596134 527577450 /nfs/dbraw/zinc/57/74/50/527577450.db2.gz KNDZHJYCUYXFML-MNOVXSKESA-N 0 3 352.464 -0.373 50 0 FBAAHN O=C(NCc1nnc2ccccn21)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000091602884 526836476 /nfs/dbraw/zinc/83/64/76/526836476.db2.gz KJECOONNQDZJQH-ZIAGYGMSSA-N 0 3 372.429 -0.570 50 0 FBAAHN CN(C)CC(=O)N1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 ZINC000091603582 524042614 /nfs/dbraw/zinc/04/26/14/524042614.db2.gz GZLCZXQCNHALEY-UHFFFAOYSA-N 0 3 363.510 -0.170 50 0 FBAAHN CCN(C)S(=O)(=O)N[C@H]1CN(CCCn2cnnn2)C[C@@H]1C(C)C ZINC000091644437 520265182 /nfs/dbraw/zinc/26/51/82/520265182.db2.gz CEQTVSVOMGKRCP-KGLIPLIRSA-N 0 3 359.500 -0.194 50 0 FBAAHN Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2)no1 ZINC000091655890 526889688 /nfs/dbraw/zinc/88/96/88/526889688.db2.gz FRFZYFMRSULMQM-LBPRGKRZSA-N 0 3 365.415 -0.052 50 0 FBAAHN COc1cccc([C@H]2CN(C(=O)CCn3ccc(=O)[nH]c3=O)C[C@@H]2N)c1 ZINC000091657182 524179692 /nfs/dbraw/zinc/17/96/92/524179692.db2.gz BLDHMFIVHSPAGE-CABCVRRESA-N 0 3 358.398 -0.111 50 0 FBAAHN Cn1cnnc1CCC(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091663335 527521344 /nfs/dbraw/zinc/52/13/44/527521344.db2.gz OWFILDXSQNFPFA-HUUCEWRRSA-N 0 3 350.467 -0.938 50 0 FBAAHN NS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(CCO)C[C@@H]2C2CC2)cc1 ZINC000091664220 483796112 /nfs/dbraw/zinc/79/61/12/483796112.db2.gz QUGPTIQCPJVOSR-CABCVRRESA-N 0 3 353.444 -0.234 50 0 FBAAHN Cn1c(CN2CCN(C)CC2)nnc1C1CCN(C(=O)C2(N)CC2)CC1 ZINC000091690165 483796095 /nfs/dbraw/zinc/79/60/95/483796095.db2.gz RSPIWEGOONNGGZ-UHFFFAOYSA-N 0 3 361.494 -0.240 50 0 FBAAHN CC(C)n1cnnc1CNC(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000091695010 520057370 /nfs/dbraw/zinc/05/73/70/520057370.db2.gz LPZBGWAALGKIQP-ZIAGYGMSSA-N 0 3 364.450 -0.440 50 0 FBAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCn1ccc(=O)[nH]c1=O)C2 ZINC000091707968 523887373 /nfs/dbraw/zinc/88/73/73/523887373.db2.gz CIGADDQQHFDQTB-ZIAGYGMSSA-N 0 3 350.419 -0.504 50 0 FBAAHN COCc1noc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCCC3)C2)n1 ZINC000091745852 483795697 /nfs/dbraw/zinc/79/56/97/483795697.db2.gz XYUBGEVKZVAROY-OLZOCXBDSA-N 0 3 365.434 -0.277 50 0 FBAAHN Cc1nnc(SCC(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)[nH]1 ZINC000091746570 483796178 /nfs/dbraw/zinc/79/61/78/483796178.db2.gz JHAUUNXCWSDHMO-ZIAGYGMSSA-N 0 3 369.491 -0.006 50 0 FBAAHN CN1CCCN(CC(=O)N2CC[C@@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091747037 483796104 /nfs/dbraw/zinc/79/61/04/483796104.db2.gz DQAAFQGMKCXEEZ-GOSISDBHSA-N 0 3 352.479 -0.543 50 0 FBAAHN O=C(NCCc1cscn1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 ZINC000091755640 483796027 /nfs/dbraw/zinc/79/60/27/483796027.db2.gz SEOPYOVIKYBBRY-OLZOCXBDSA-N 0 3 352.460 -0.114 50 0 FBAAHN Cc1nc(N)sc1C(=O)N1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091769522 483796091 /nfs/dbraw/zinc/79/60/91/483796091.db2.gz ACGWHGAEDDRMLF-CHWSQXEVSA-N 0 3 353.492 -0.038 50 0 FBAAHN CCC[C@H]1CN(CCCn2nnnc2C)C[C@@H]1NS(=O)(=O)N(C)C ZINC000091780910 483796646 /nfs/dbraw/zinc/79/66/46/483796646.db2.gz UDIGTUHTDNJPSO-KBPBESRZSA-N 0 3 359.500 -0.132 50 0 FBAAHN CN1CCN(C[C@@H]2CN(C(=O)CN3CCCCC3=O)C[C@@H]2CO)CC1 ZINC000091781638 483796700 /nfs/dbraw/zinc/79/67/00/483796700.db2.gz HKHIMISCZFRTCJ-HZPDHXFCSA-N 0 3 352.479 -0.687 50 0 FBAAHN CC1(C)CN(Cc2cc(=O)[nH]c(=O)[nH]2)CC[C@]1(O)CN1CCOCC1 ZINC000091793601 483796979 /nfs/dbraw/zinc/79/69/79/483796979.db2.gz UENPNAZXIYQKBV-KRWDZBQOSA-N 0 3 352.435 -0.642 50 0 FBAAHN CC1(C)CN(Cc2cc(=O)[nH]c(=O)[nH]2)CC[C@@]1(O)CN1CCOCC1 ZINC000091793602 483796494 /nfs/dbraw/zinc/79/64/94/483796494.db2.gz UENPNAZXIYQKBV-QGZVFWFLSA-N 0 3 352.435 -0.642 50 0 FBAAHN CN(C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c[nH]c(=O)cn1)CC2 ZINC000091807328 483796657 /nfs/dbraw/zinc/79/66/57/483796657.db2.gz PYPZQFTXPLHUGD-KGLIPLIRSA-N 0 3 350.419 -0.296 50 0 FBAAHN Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)N3CCCC3)C1)C2 ZINC000091848761 483796726 /nfs/dbraw/zinc/79/67/26/483796726.db2.gz GFANQDJSZXVGFV-QWHCGFSZSA-N 0 3 359.430 -0.231 50 0 FBAAHN CN(C)[C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H]1C1CC1 ZINC000091858516 483796715 /nfs/dbraw/zinc/79/67/15/483796715.db2.gz DGNYLMVQFJSHEM-NEPJUHHUSA-N 0 3 356.448 -0.955 50 0 FBAAHN CCN1CC[C@]2(O)CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000091860920 483796509 /nfs/dbraw/zinc/79/65/09/483796509.db2.gz GBCFHKXDDULWCC-SJCJKPOMSA-N 0 3 352.435 -0.378 50 0 FBAAHN CN(CCc1cnn(C)c1)C(=O)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000091871621 483796519 /nfs/dbraw/zinc/79/65/19/483796519.db2.gz ZFOJIUGFIJSDKO-HZPDHXFCSA-N 0 3 363.462 -0.495 50 0 FBAAHN Cc1nnc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC(=O)[O-])CC3)o1 ZINC000091892711 483796758 /nfs/dbraw/zinc/79/67/58/483796758.db2.gz FMFQWEUZHZQBCM-INIZCTEOSA-N 0 3 351.407 -0.039 50 0 FBAAHN CN(C)S(=O)(=O)CCCN1CCC2(CC1)[C@H](O)C[C@@H]2OCCO ZINC000091951028 483797721 /nfs/dbraw/zinc/79/77/21/483797721.db2.gz YAYVGCRBCWXXBR-KGLIPLIRSA-N 0 3 350.481 -0.508 50 0 FBAAHN CN1CCCN(CC(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)CC1 ZINC000091951811 483797262 /nfs/dbraw/zinc/79/72/62/483797262.db2.gz VGOVTCYYSODWGD-CABCVRRESA-N 0 3 358.508 -0.590 50 0 FBAAHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091974285 483797306 /nfs/dbraw/zinc/79/73/06/483797306.db2.gz AZBWWRFBHJOJGF-HNNXBMFYSA-N 0 3 363.443 -0.187 50 0 FBAAHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000091974285 483797304 /nfs/dbraw/zinc/79/73/04/483797304.db2.gz AZBWWRFBHJOJGF-HNNXBMFYSA-N 0 3 363.443 -0.187 50 0 FBAAHN O=C(Cn1nc2ccccc2n1)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 ZINC000091986197 483797457 /nfs/dbraw/zinc/79/74/57/483797457.db2.gz VOJSDGGCXANXJA-HUUCEWRRSA-N 0 3 373.457 -0.045 50 0 FBAAHN O=C(NCc1cn2cccnc2n1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000091986577 483797397 /nfs/dbraw/zinc/79/73/97/483797397.db2.gz OCNGJAKFBLRMNH-ZIAGYGMSSA-N 0 3 372.429 -0.570 50 0 FBAAHN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)nc(N)n1 ZINC000092001569 132205288 /nfs/dbraw/zinc/20/52/88/132205288.db2.gz BSTKFEYYMNQZAA-CYBMUJFWSA-N 0 3 361.450 -0.787 50 0 FBAAHN Cc1cc(N2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)nc(N)n1 ZINC000092001571 132205325 /nfs/dbraw/zinc/20/53/25/132205325.db2.gz BSTKFEYYMNQZAA-ZDUSSCGKSA-N 0 3 361.450 -0.787 50 0 FBAAHN COCCN1C[C@H](NC(=O)Cc2c[nH]c(=O)n(C)c2=O)[C@@H](C(C)C)C1 ZINC000092004545 483797571 /nfs/dbraw/zinc/79/75/71/483797571.db2.gz WTRSYOREAIOFFF-KGLIPLIRSA-N 0 3 352.435 -0.665 50 0 FBAAHN CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CN(CCCO)C[C@@H]1C1CC1 ZINC000092028240 209013513 /nfs/dbraw/zinc/01/35/13/209013513.db2.gz AZBBHMMCPYLJCJ-OLZOCXBDSA-N 0 3 352.435 -0.474 50 0 FBAAHN CN(C)CC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000092028622 209012757 /nfs/dbraw/zinc/01/27/57/209012757.db2.gz DAVBVLODSREVRT-UHFFFAOYSA-N 0 3 355.464 -0.393 50 0 FBAAHN COc1cccc([C@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C[C@@H]2N)c1 ZINC000092061817 221832663 /nfs/dbraw/zinc/83/26/63/221832663.db2.gz LJRQDYNIIMCOCZ-CABCVRRESA-N 0 3 358.398 -0.422 50 0 FBAAHN CC(C)[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000092077716 483797367 /nfs/dbraw/zinc/79/73/67/483797367.db2.gz DALXXGNLPNDPPJ-OCCSQVGLSA-N 0 3 350.419 -0.072 50 0 FBAAHN CC(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC000092077716 483797365 /nfs/dbraw/zinc/79/73/65/483797365.db2.gz DALXXGNLPNDPPJ-OCCSQVGLSA-N 0 3 350.419 -0.072 50 0 FBAAHN CN1CCc2[nH]nc(C(=O)N3C[C@H]4CC[C@@H]3CN(S(C)(=O)=O)C4)c2C1 ZINC000092080387 483798414 /nfs/dbraw/zinc/79/84/14/483798414.db2.gz KOHPRZXBHMVINC-NWDGAFQWSA-N 0 3 367.475 -0.106 50 0 FBAAHN C[NH+](C)CCn1ccnc1C1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000092097259 209017267 /nfs/dbraw/zinc/01/72/67/209017267.db2.gz MHDIIQUHDQZHBJ-UHFFFAOYSA-N 0 3 362.434 -0.298 50 0 FBAAHN COCc1cc(CNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)[nH]n1 ZINC000092099323 483798055 /nfs/dbraw/zinc/79/80/55/483798055.db2.gz DQSJZIPZDSWBFW-CHWSQXEVSA-N 0 3 365.434 -0.743 50 0 FBAAHN CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)C1(N)CC1)CC2 ZINC000092107222 483798127 /nfs/dbraw/zinc/79/81/27/483798127.db2.gz FFYBPQTTZPPRMX-UHFFFAOYSA-N 0 3 353.448 -0.464 50 0 FBAAHN CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1(N)CC1)CC2 ZINC000092107222 483798123 /nfs/dbraw/zinc/79/81/23/483798123.db2.gz FFYBPQTTZPPRMX-UHFFFAOYSA-N 0 3 353.448 -0.464 50 0 FBAAHN CN(CCc1cnn(C)c1)C(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 ZINC000092107578 483798198 /nfs/dbraw/zinc/79/81/98/483798198.db2.gz ZFOJIUGFIJSDKO-CVEARBPZSA-N 0 3 363.462 -0.495 50 0 FBAAHN Nc1nc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)cs1 ZINC000092107940 483797950 /nfs/dbraw/zinc/79/79/50/483797950.db2.gz VYDYXEBGEFTKEZ-NEPJUHHUSA-N 0 3 367.475 -0.532 50 0 FBAAHN CN(C)CCN1C[C@H](C(=O)NCCn2ncc3ccccc3c2=O)CC1=O ZINC000095354320 483822037 /nfs/dbraw/zinc/82/20/37/483822037.db2.gz ZHQMALCYLWWRSH-OAHLLOKOSA-N 0 3 371.441 -0.077 50 0 FBAAHN CN(C)CCN1C[C@@H](C(=O)NCCn2ncc3ccccc3c2=O)CC1=O ZINC000095354321 483822010 /nfs/dbraw/zinc/82/20/10/483822010.db2.gz ZHQMALCYLWWRSH-HNNXBMFYSA-N 0 3 371.441 -0.077 50 0 FBAAHN C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000095355840 483822192 /nfs/dbraw/zinc/82/21/92/483822192.db2.gz CIOJLNPSVCGEAI-CYBMUJFWSA-N 0 3 362.434 -0.298 50 0 FBAAHN C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000095355841 483821920 /nfs/dbraw/zinc/82/19/20/483821920.db2.gz CIOJLNPSVCGEAI-ZDUSSCGKSA-N 0 3 362.434 -0.298 50 0 FBAAHN CCN1CCN(C[C@@H]2CN(c3cc(N)nc(N(C)C)n3)C[C@@H]2CO)CC1 ZINC000095357383 221857452 /nfs/dbraw/zinc/85/74/52/221857452.db2.gz FWEPFTCJFNCFKX-HUUCEWRRSA-N 0 3 363.510 -0.193 50 0 FBAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCN3CCNC3=O)C2)cn1 ZINC000095358866 209027987 /nfs/dbraw/zinc/02/79/87/209027987.db2.gz CXYODUTVDWCIKN-KGLIPLIRSA-N 0 3 374.445 -0.304 50 0 FBAAHN Cc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cnc2ccnn21 ZINC000095359523 483822246 /nfs/dbraw/zinc/82/22/46/483822246.db2.gz AZBHYZMODZOGAB-HZPDHXFCSA-N 0 3 372.473 -0.034 50 0 FBAAHN C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)C1 ZINC000095364118 483822196 /nfs/dbraw/zinc/82/21/96/483822196.db2.gz GTJZBNAAZAWLOH-CYBMUJFWSA-N 0 3 374.445 -0.230 50 0 FBAAHN C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2c[nH]c(=O)[n-]c2=O)C1 ZINC000095364119 483821900 /nfs/dbraw/zinc/82/19/00/483821900.db2.gz GTJZBNAAZAWLOH-ZDUSSCGKSA-N 0 3 374.445 -0.230 50 0 FBAAHN Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CNC[C@H](C(=O)N3CCCC3)C1)C2 ZINC000095365353 209031241 /nfs/dbraw/zinc/03/12/41/209031241.db2.gz KESVHWFCAGKGTL-ZIAGYGMSSA-N 0 3 373.457 -0.221 50 0 FBAAHN O=C(NCCNC(=O)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1)c1cccnc1 ZINC000095372412 209034767 /nfs/dbraw/zinc/03/47/67/209034767.db2.gz UAWOZROHUXVXLN-HZPDHXFCSA-N 0 3 373.457 -0.224 50 0 FBAAHN O=C(NCCSc1nc[nH]n1)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1 ZINC000095374344 483822560 /nfs/dbraw/zinc/82/25/60/483822560.db2.gz ZSAAZFJRLJUJOE-VXGBXAGGSA-N 0 3 352.464 -0.139 50 0 FBAAHN CN1CCN(C[C@@H]2CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000095375488 209036556 /nfs/dbraw/zinc/03/65/56/209036556.db2.gz YAKHVXVHDPLGHO-HZPDHXFCSA-N 0 3 372.473 -0.254 50 0 FBAAHN CN1CCN(C[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@@H]2CO)CC1 ZINC000095378238 483822476 /nfs/dbraw/zinc/82/24/76/483822476.db2.gz RQRAKDGQCFSVBD-HZPDHXFCSA-N 0 3 360.458 -0.061 50 0 FBAAHN Cc1cc(N2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)nc(N)n1 ZINC000095384480 132209904 /nfs/dbraw/zinc/20/99/04/132209904.db2.gz ACMBNIBNGJYMMV-IUODEOHRSA-N 0 3 370.479 -0.563 50 0 FBAAHN COCCCN1CC2(CC1=O)CCN(CC(=O)N1CCNCC1)CC2 ZINC000095388393 483822651 /nfs/dbraw/zinc/82/26/51/483822651.db2.gz XBVFEFDTEXQXIX-UHFFFAOYSA-N 0 3 352.479 -0.231 50 0 FBAAHN CN1CCN(C(=O)CN2CCCN(C)CC2)C[C@]12CCNC(=O)CC2 ZINC000095389422 209045422 /nfs/dbraw/zinc/04/54/22/209045422.db2.gz RYBAIIGILNUNOR-SFHVURJKSA-N 0 3 351.495 -0.563 50 0 FBAAHN CCOc1ncccc1C(=O)N1CCN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000095389530 205751638 /nfs/dbraw/zinc/75/16/38/205751638.db2.gz MCMXGWDXRCBIDA-KGLIPLIRSA-N 0 3 369.443 -0.604 50 0 FBAAHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3nccn3C)CC2)CC1=O ZINC000095390476 205751911 /nfs/dbraw/zinc/75/19/11/205751911.db2.gz XEVGQPKRXKMFRO-OAHLLOKOSA-N 0 3 362.478 -0.526 50 0 FBAAHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3nccn3C)CC2)CC1=O ZINC000095390477 483822784 /nfs/dbraw/zinc/82/27/84/483822784.db2.gz XEVGQPKRXKMFRO-HNNXBMFYSA-N 0 3 362.478 -0.526 50 0 FBAAHN COCCCN1CC2(CC1=O)CCN(Cc1cc(=O)[nH]c(=O)[nH]1)CC2 ZINC000095392399 205751477 /nfs/dbraw/zinc/75/14/77/205751477.db2.gz STYQNUUVJHXBGM-UHFFFAOYSA-N 0 3 350.419 -0.086 50 0 FBAAHN CN1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000095481031 132211809 /nfs/dbraw/zinc/21/18/09/132211809.db2.gz QETGJPFRLXXLAO-CQSZACIVSA-N 0 3 357.414 -0.018 50 0 FBAAHN O=C(CN1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)N1CCNCC1 ZINC000095500713 483823083 /nfs/dbraw/zinc/82/30/83/483823083.db2.gz QMRUAZZVMDTTNP-DZGCQCFKSA-N 0 3 363.487 -0.002 50 0 FBAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(CC(=O)N3CCNCC3)C[C@H]21 ZINC000095505180 209064720 /nfs/dbraw/zinc/06/47/20/209064720.db2.gz KSFSKNRGVMDJGA-VQIMIIECSA-N 0 3 361.442 -0.103 50 0 FBAAHN CN1CCCN(CC(=O)N2CCC(c3nccn3CC(N)=O)CC2)CC1 ZINC000095526755 209076090 /nfs/dbraw/zinc/07/60/90/209076090.db2.gz PQMSOISJCQESKB-UHFFFAOYSA-N 0 3 362.478 -0.288 50 0 FBAAHN CCn1nc(CO)c2c1CCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C2 ZINC000095528793 483823724 /nfs/dbraw/zinc/82/37/24/483823724.db2.gz RVGBBTFPDPJJPP-CYBMUJFWSA-N 0 3 363.462 -0.310 50 0 FBAAHN CCn1nc(CO)c2c1CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C2 ZINC000095528794 483823596 /nfs/dbraw/zinc/82/35/96/483823596.db2.gz RVGBBTFPDPJJPP-ZDUSSCGKSA-N 0 3 363.462 -0.310 50 0 FBAAHN O=C([O-])[C@]12CN(CCCn3cnnn3)C[C@H]1C[N@H+](C1CCOCC1)C2 ZINC000096130267 222035674 /nfs/dbraw/zinc/03/56/74/222035674.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 0 3 350.423 -0.439 50 0 FBAAHN O=C([O-])[C@]12CN(CCCn3cnnn3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096130267 222035672 /nfs/dbraw/zinc/03/56/72/222035672.db2.gz NWPPDYRFUWWNRH-BBRMVZONSA-N 0 3 350.423 -0.439 50 0 FBAAHN Cc1nc(C)n(CCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)n1 ZINC000096136270 222040073 /nfs/dbraw/zinc/04/00/73/222040073.db2.gz QSCCCSZYOOXVMQ-CABCVRRESA-N 0 3 364.450 -0.904 50 0 FBAAHN Cn1cc(CCCNC(=O)[C@H]2CNC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000096151424 205838220 /nfs/dbraw/zinc/83/82/20/205838220.db2.gz WWORAVXWQXMCJL-CVEARBPZSA-N 0 3 363.462 -0.447 50 0 FBAAHN O=C(NCCSc1nc[nH]n1)[C@H]1CNC[C@H](C(=O)N2CCOCC2)C1 ZINC000096161942 209128150 /nfs/dbraw/zinc/12/81/50/209128150.db2.gz KWZSINMFTJQFRP-VXGBXAGGSA-N 0 3 368.463 -0.903 50 0 FBAAHN Nc1nc(CCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cs1 ZINC000096162554 527550428 /nfs/dbraw/zinc/55/04/28/527550428.db2.gz VYDYXEBGEFTKEZ-VXGBXAGGSA-N 0 3 367.475 -0.532 50 0 FBAAHN CCCn1cnnc1CNC(=O)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1 ZINC000096163393 222063361 /nfs/dbraw/zinc/06/33/61/222063361.db2.gz YRJYSYSMRPDFHG-KGLIPLIRSA-N 0 3 364.450 -0.611 50 0 FBAAHN NC1(C(=O)N2CCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)Cc2ccccc2C1 ZINC000097229047 222170078 /nfs/dbraw/zinc/17/00/78/222170078.db2.gz YKMGKWLAPGIDCS-UHFFFAOYSA-N 0 3 355.398 -0.516 50 0 FBAAHN Cc1cccc2ncc(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c(=O)n12 ZINC000097572194 209187500 /nfs/dbraw/zinc/18/75/00/209187500.db2.gz PFOCXLVQQSBZRP-ZDUSSCGKSA-N 0 3 357.414 -0.070 50 0 FBAAHN Cc1cccc2ncc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)c(=O)n12 ZINC000097572195 222192343 /nfs/dbraw/zinc/19/23/43/222192343.db2.gz PFOCXLVQQSBZRP-CYBMUJFWSA-N 0 3 357.414 -0.070 50 0 FBAAHN NC(=O)[C@H]1CCCN(CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773161 222211359 /nfs/dbraw/zinc/21/13/59/222211359.db2.gz CHSVKZSWSBCWGN-HNNXBMFYSA-N 0 3 357.418 -0.352 50 0 FBAAHN NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000097773162 483830755 /nfs/dbraw/zinc/83/07/55/483830755.db2.gz CHSVKZSWSBCWGN-OAHLLOKOSA-N 0 3 357.418 -0.352 50 0 FBAAHN Cn1c(=O)cc(C(=O)N2CCC(N3CCSCC3)CC2)n(C)c1=O ZINC000097785562 209197674 /nfs/dbraw/zinc/19/76/74/209197674.db2.gz MMAIJFDFKIHGOX-UHFFFAOYSA-N 0 3 352.460 -0.263 50 0 FBAAHN O=C1C[C@@H](N2CCC(C3CCN([C@@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000100204072 222238022 /nfs/dbraw/zinc/23/80/22/222238022.db2.gz JNJSUKCVONWQNW-ZIAGYGMSSA-N 0 3 362.430 -0.759 50 0 FBAAHN O=C1C[C@@H](N2CCC(C3CCN([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000100204077 222238527 /nfs/dbraw/zinc/23/85/27/222238527.db2.gz JNJSUKCVONWQNW-OKILXGFUSA-N 0 3 362.430 -0.759 50 0 FBAAHN CN1c2ccccc2[C@@H](NC(=O)C(=O)NCCCN2CCN(C)CC2)C1=O ZINC000101678300 483437224 /nfs/dbraw/zinc/43/72/24/483437224.db2.gz IMXZXBNPQHUOBF-MRXNPFEDSA-N 0 3 373.457 -0.426 50 0 FBAAHN O=c1c(=O)c(N2CCN(Cc3ccccc3)CC2)c1NCCNCCO ZINC000101694537 222280348 /nfs/dbraw/zinc/28/03/48/222280348.db2.gz KUFSHEWPBHWIDY-UHFFFAOYSA-N 0 3 358.442 -0.401 50 0 FBAAHN O=c1c(=O)c(N2CCN(c3ccc(F)cc3)CC2)c1NCCNCCO ZINC000101695457 132234197 /nfs/dbraw/zinc/23/41/97/132234197.db2.gz PPGOFVYBPQDFGM-UHFFFAOYSA-N 0 3 362.405 -0.258 50 0 FBAAHN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000102165532 483833971 /nfs/dbraw/zinc/83/39/71/483833971.db2.gz XZEZHPXGKMQMQD-HNNXBMFYSA-N 0 3 352.460 -0.001 50 0 FBAAHN CN1CCC(N2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)CC1 ZINC000106980780 536339434 /nfs/dbraw/zinc/33/94/34/536339434.db2.gz LHBVTLBFHHHDRS-MRXNPFEDSA-N 0 3 364.494 -0.152 50 0 FBAAHN CN1CCCN(CC(=O)N2CC[C@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000107679158 222399542 /nfs/dbraw/zinc/39/95/42/222399542.db2.gz DQAAFQGMKCXEEZ-SFHVURJKSA-N 0 3 352.479 -0.543 50 0 FBAAHN CN1CCN(C(=O)CN2CCCN(C)CC2)C[C@@]12CCNC(=O)CC2 ZINC000108045228 209283124 /nfs/dbraw/zinc/28/31/24/209283124.db2.gz RYBAIIGILNUNOR-GOSISDBHSA-N 0 3 351.495 -0.563 50 0 FBAAHN CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H]([N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000169781278 660108345 /nfs/dbraw/zinc/10/83/45/660108345.db2.gz OIYRIEYSBXVKOU-VXGBXAGGSA-N 0 3 359.452 -0.229 50 0 FBAAHN C[C@@H](CO)N1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088382 484375697 /nfs/dbraw/zinc/37/56/97/484375697.db2.gz JINZYWSJGNCORN-AWEZNQCLSA-N 0 3 351.451 -0.314 50 0 FBAAHN C[C@H](CO)N1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 ZINC000170088385 484375601 /nfs/dbraw/zinc/37/56/01/484375601.db2.gz JINZYWSJGNCORN-CQSZACIVSA-N 0 3 351.451 -0.314 50 0 FBAAHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601429 484482825 /nfs/dbraw/zinc/48/28/25/484482825.db2.gz CVBFCJGBBWGIFU-GOSISDBHSA-N 0 3 359.430 -0.323 50 0 FBAAHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)Cn1ncn(C)c1=O ZINC000170601430 484482379 /nfs/dbraw/zinc/48/23/79/484482379.db2.gz CVBFCJGBBWGIFU-SFHVURJKSA-N 0 3 359.430 -0.323 50 0 FBAAHN CCN(C)[C@@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616430 484545734 /nfs/dbraw/zinc/54/57/34/484545734.db2.gz KDPNDCPTCNWXQQ-SNVBAGLBSA-N 0 3 367.431 -0.664 50 0 FBAAHN CCN(C)[C@H]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C1 ZINC000170616432 484545890 /nfs/dbraw/zinc/54/58/90/484545890.db2.gz KDPNDCPTCNWXQQ-JTQLQIEISA-N 0 3 367.431 -0.664 50 0 FBAAHN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000214955388 206343750 /nfs/dbraw/zinc/34/37/50/206343750.db2.gz RNEZLRAAJIDWLG-CQSZACIVSA-N 0 3 350.419 -0.360 50 0 FBAAHN O=C(Cn1ccc(=O)[nH]c1=O)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000214955431 483845701 /nfs/dbraw/zinc/84/57/01/483845701.db2.gz RNEZLRAAJIDWLG-AWEZNQCLSA-N 0 3 350.419 -0.360 50 0 FBAAHN O=C(c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2)c1)N1CCNCC1 ZINC000215098909 483846194 /nfs/dbraw/zinc/84/61/94/483846194.db2.gz YJZGCVFYMGRUPX-KBPBESRZSA-N 0 3 370.450 -0.290 50 0 FBAAHN Cn1nnc(-c2ccc(C(=O)NCCN3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000216027079 483851393 /nfs/dbraw/zinc/85/13/93/483851393.db2.gz QYTVMIADKNSBAH-AWEZNQCLSA-N 0 3 357.418 -0.196 50 0 FBAAHN Cn1nnc(-c2ccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000216027132 206353025 /nfs/dbraw/zinc/35/30/25/206353025.db2.gz QYTVMIADKNSBAH-CQSZACIVSA-N 0 3 357.418 -0.196 50 0 FBAAHN CN1CCN(C)[C@@H](CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)C1 ZINC000216615649 132271577 /nfs/dbraw/zinc/27/15/77/132271577.db2.gz BLKLYGRYAXHOMW-HNNXBMFYSA-N 0 3 374.489 -0.166 50 0 FBAAHN CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000218855742 483863692 /nfs/dbraw/zinc/86/36/92/483863692.db2.gz IJPJSJPBSOPURH-NEPJUHHUSA-N 0 3 356.423 -0.831 50 0 FBAAHN Cc1cc(N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)nc(N)n1 ZINC000219367348 132274384 /nfs/dbraw/zinc/27/43/84/132274384.db2.gz VOUFMQJVFXOQPG-UHFFFAOYSA-N 0 3 357.418 -0.041 50 0 FBAAHN COc1ncc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)nc1OC ZINC000219910937 206393924 /nfs/dbraw/zinc/39/39/24/206393924.db2.gz AOUPPUZTONJRML-OLZOCXBDSA-N 0 3 354.407 -0.041 50 0 FBAAHN Cn1c(=O)[nH]cc(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1=O ZINC000219948829 206395940 /nfs/dbraw/zinc/39/59/40/206395940.db2.gz RBHXRURZASEVGA-AWEZNQCLSA-N 0 3 350.419 -0.624 50 0 FBAAHN Cn1c(=O)[nH]cc(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1=O ZINC000219948895 206395841 /nfs/dbraw/zinc/39/58/41/206395841.db2.gz RBHXRURZASEVGA-CQSZACIVSA-N 0 3 350.419 -0.624 50 0 FBAAHN Cc1cn(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)c(=O)[nH]c1=O ZINC000220335931 483871133 /nfs/dbraw/zinc/87/11/33/483871133.db2.gz QCVZZBKNEHLZSS-SLBVQIDZSA-N 0 3 362.430 -0.397 50 0 FBAAHN Cc1cn(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000220540020 483872138 /nfs/dbraw/zinc/87/21/38/483872138.db2.gz NLEAQHJKXKJAMZ-AWEZNQCLSA-N 0 3 350.419 -0.395 50 0 FBAAHN Cc1cn(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(=O)[nH]c1=O ZINC000220540088 483872554 /nfs/dbraw/zinc/87/25/54/483872554.db2.gz NLEAQHJKXKJAMZ-CQSZACIVSA-N 0 3 350.419 -0.395 50 0 FBAAHN CN(C)CCO[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000222311409 483882015 /nfs/dbraw/zinc/88/20/15/483882015.db2.gz XTFYFDVYWZETKX-CABCVRRESA-N 0 3 371.459 -0.201 50 0 FBAAHN O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000222657636 483882884 /nfs/dbraw/zinc/88/28/84/483882884.db2.gz GRZFZIIAUAFGLI-GJZGRUSLSA-N 0 3 358.398 -0.112 50 0 FBAAHN CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000223654482 483887765 /nfs/dbraw/zinc/88/77/65/483887765.db2.gz RVFQMFBLSJNVBB-HUUCEWRRSA-N 0 3 371.459 -0.201 50 0 FBAAHN CN(C)CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000225399656 483893353 /nfs/dbraw/zinc/89/33/53/483893353.db2.gz AHDFQJSQOAHSHD-CYBMUJFWSA-N 0 3 370.475 -0.296 50 0 FBAAHN CN(C)CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 ZINC000225399696 483892847 /nfs/dbraw/zinc/89/28/47/483892847.db2.gz AHDFQJSQOAHSHD-ZDUSSCGKSA-N 0 3 370.475 -0.296 50 0 FBAAHN C[C@@H]1CN(CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@@H](C)O1 ZINC000237399248 483876703 /nfs/dbraw/zinc/87/67/03/483876703.db2.gz YWBOMMBPZCVLCZ-HUUCEWRRSA-N 0 3 352.479 -0.234 50 0 FBAAHN C[C@@H]1CN(CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237602970 209351585 /nfs/dbraw/zinc/35/15/85/209351585.db2.gz YWBOMMBPZCVLCZ-GASCZTMLSA-N 0 3 352.479 -0.234 50 0 FBAAHN C[C@H]1CN(CC2CCN(C(=O)CN3CCNCC3=O)CC2)C[C@H](C)O1 ZINC000237603003 483882290 /nfs/dbraw/zinc/88/22/90/483882290.db2.gz YWBOMMBPZCVLCZ-GJZGRUSLSA-N 0 3 352.479 -0.234 50 0 FBAAHN O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCCNCC1 ZINC000237987656 209358374 /nfs/dbraw/zinc/35/83/74/209358374.db2.gz VTFVEWIXYBXRQL-INIZCTEOSA-N 0 3 371.441 -0.054 50 0 FBAAHN O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCCNCC1 ZINC000238033306 206113774 /nfs/dbraw/zinc/11/37/74/206113774.db2.gz VTFVEWIXYBXRQL-MRXNPFEDSA-N 0 3 371.441 -0.054 50 0 FBAAHN O=C(CN1CCNCC1=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000238152828 206114963 /nfs/dbraw/zinc/11/49/63/206114963.db2.gz BTUUYQKLELJSNN-UHFFFAOYSA-N 0 3 360.458 -0.309 50 0 FBAAHN O=C(CN1CCN(c2ncccn2)CC1)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000244708017 132290244 /nfs/dbraw/zinc/29/02/44/132290244.db2.gz KMAKTHXVMWOTCS-HOTGVXAUSA-N 0 3 360.462 -0.422 50 0 FBAAHN CN(C)Cc1nnc([C@H]2C[C@@H](NC(=O)CN3CCCN(C)CC3)C2)n1C ZINC000244764118 484047929 /nfs/dbraw/zinc/04/79/29/484047929.db2.gz PBRSIADLCVWXMF-GASCZTMLSA-N 0 3 363.510 -0.124 50 0 FBAAHN COc1cc(=O)n2c(c1C(=O)NCCSc1cn[nH]n1)CCNCC2 ZINC000244764137 484047184 /nfs/dbraw/zinc/04/71/84/484047184.db2.gz PBZCZHPOHOLKQD-UHFFFAOYSA-N 0 3 364.431 -0.357 50 0 FBAAHN COc1cc(=O)n2c(c1C(=O)NCCSc1c[nH]nn1)CCNCC2 ZINC000244764137 484047174 /nfs/dbraw/zinc/04/71/74/484047174.db2.gz PBZCZHPOHOLKQD-UHFFFAOYSA-N 0 3 364.431 -0.357 50 0 FBAAHN COCc1cc(CNC(=O)c2c(OC)cc(=O)n3c2CCNCC3)n[nH]1 ZINC000244774048 484048212 /nfs/dbraw/zinc/04/82/12/484048212.db2.gz PNBMNHRGMWKYPM-UHFFFAOYSA-N 0 3 361.402 -0.198 50 0 FBAAHN COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C2(O)CCN(C)CC2)C1 ZINC000244796169 484049098 /nfs/dbraw/zinc/04/90/98/484049098.db2.gz RUEZMPFCBVRXEH-JOCQHMNTSA-N 0 3 367.450 -0.764 50 0 FBAAHN CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)CN2CCCN(C)CC2)C1 ZINC000253378523 484237461 /nfs/dbraw/zinc/23/74/61/484237461.db2.gz PSUFPGONSYGMIR-OKILXGFUSA-N 0 3 350.467 -0.210 50 0 FBAAHN Cn1c(CN2CCN(c3cc(=O)[n-]c(N)n3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253535036 132293926 /nfs/dbraw/zinc/29/39/26/132293926.db2.gz ARBSNFAQMXRVPQ-PHIMTYICSA-N 0 3 359.438 -0.580 50 0 FBAAHN CC(=O)N1CC[C@]2(O)CCN(CCn3c(=O)cc(C)[nH]c3=O)C[C@@H]2C1 ZINC000253536768 484239580 /nfs/dbraw/zinc/23/95/80/484239580.db2.gz NYKWIHHKIAVTMG-RHSMWYFYSA-N 0 3 350.419 -0.437 50 0 FBAAHN Cc1onc(C(=O)N2C[C@@H](CO)[C@H](N(C)C)C2)c1CN1CCOCC1 ZINC000257177907 658658065 /nfs/dbraw/zinc/65/80/65/658658065.db2.gz YKCTVUHLPKMSOY-DZGCQCFKSA-N 0 3 352.435 -0.190 50 0 FBAAHN CS(=O)(=O)N1CCN(C(=O)c2nn(CC3CC3)c3c2CNCC3)CC1 ZINC000257195028 658659209 /nfs/dbraw/zinc/65/92/09/658659209.db2.gz VFOFHQUNVQAJIU-UHFFFAOYSA-N 0 3 367.475 -0.344 50 0 FBAAHN COC(=O)c1cn(CCN[C@@H]2CCS(=O)(=O)C2)cc2c(=O)[nH]nc1-2 ZINC000263586974 483876196 /nfs/dbraw/zinc/87/61/96/483876196.db2.gz ALVXFPLNFSRFLF-SECBINFHSA-N 0 3 354.388 -0.761 50 0 FBAAHN COC(=O)c1cn(CCN[C@H]2CCS(=O)(=O)C2)cc2c(=O)[nH]nc1-2 ZINC000263586975 483876348 /nfs/dbraw/zinc/87/63/48/483876348.db2.gz ALVXFPLNFSRFLF-VIFPVBQESA-N 0 3 354.388 -0.761 50 0 FBAAHN CCS(=O)(=O)C(C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000299763473 132298337 /nfs/dbraw/zinc/29/83/37/132298337.db2.gz WHNLIEVRAPZZEP-LLVKDONJSA-N 0 3 354.432 -0.348 50 0 FBAAHN CCS(=O)(=O)C(C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000299763477 132298385 /nfs/dbraw/zinc/29/83/85/132298385.db2.gz WHNLIEVRAPZZEP-NSHDSACASA-N 0 3 354.432 -0.348 50 0 FBAAHN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2cc(C)nc(N)n2)CC1 ZINC000299763598 534565191 /nfs/dbraw/zinc/56/51/91/534565191.db2.gz YJGJDZUXYJXTFM-AWEZNQCLSA-N 0 3 372.433 -0.514 50 0 FBAAHN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2cc(C)nc(N)n2)CC1 ZINC000299763598 534565188 /nfs/dbraw/zinc/56/51/88/534565188.db2.gz YJGJDZUXYJXTFM-AWEZNQCLSA-N 0 3 372.433 -0.514 50 0 FBAAHN CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](O)C1 ZINC000299763962 223085982 /nfs/dbraw/zinc/08/59/82/223085982.db2.gz ZNQJLOCLSKWSHQ-HUUCEWRRSA-N 0 3 372.429 -0.275 50 0 FBAAHN CN1CCCN(CC(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)CC1 ZINC000299780087 659928315 /nfs/dbraw/zinc/92/83/15/659928315.db2.gz SWOYVCSPUYNXMI-HZPDHXFCSA-N 0 3 367.519 -0.168 50 0 FBAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000299783210 132299616 /nfs/dbraw/zinc/29/96/16/132299616.db2.gz ZGERBEDHIQHFQJ-HOTGVXAUSA-N 0 3 362.478 -0.178 50 0 FBAAHN Cc1[nH]nc(CCC(=O)N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1C ZINC000299801879 658713907 /nfs/dbraw/zinc/71/39/07/658713907.db2.gz YGWXJJXFVDKABU-HUUCEWRRSA-N 0 3 351.451 -0.401 50 0 FBAAHN Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@@H]1COCCN(C)C1 ZINC000299802677 132300815 /nfs/dbraw/zinc/30/08/15/132300815.db2.gz VQCMCMITQHGUON-HNNXBMFYSA-N 0 3 362.478 -0.155 50 0 FBAAHN Cc1nc(N2CCN(C)CC2)ncc1C(=O)NC[C@H]1COCCN(C)C1 ZINC000299802679 132301210 /nfs/dbraw/zinc/30/12/10/132301210.db2.gz VQCMCMITQHGUON-OAHLLOKOSA-N 0 3 362.478 -0.155 50 0 FBAAHN CN(C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O ZINC000426373598 485336844 /nfs/dbraw/zinc/33/68/44/485336844.db2.gz JRMXONGHTASXKO-AWEZNQCLSA-N 0 3 357.414 -0.021 50 0 FBAAHN CN(C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O ZINC000426373599 485337146 /nfs/dbraw/zinc/33/71/46/485337146.db2.gz JRMXONGHTASXKO-CQSZACIVSA-N 0 3 357.414 -0.021 50 0 FBAAHN CN(CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)CCc1ccccc1 ZINC000426394618 485337050 /nfs/dbraw/zinc/33/70/50/485337050.db2.gz PDUHMVONVIZLHQ-HNNXBMFYSA-N 0 3 371.441 -0.108 50 0 FBAAHN CN(CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)CCc1ccccc1 ZINC000426394619 485337065 /nfs/dbraw/zinc/33/70/65/485337065.db2.gz PDUHMVONVIZLHQ-OAHLLOKOSA-N 0 3 371.441 -0.108 50 0 FBAAHN CCC(=O)NCc1cc2n(n1)CCN(C(=O)CN1CCCN(C)CC1)C2 ZINC000426401828 485336956 /nfs/dbraw/zinc/33/69/56/485336956.db2.gz KPEYWBHMUSLWRO-UHFFFAOYSA-N 0 3 362.478 -0.111 50 0 FBAAHN CNC(=O)c1[n-]nc2c1CN(C(=O)NCC1CC[NH+](CCO)CC1)CC2 ZINC000426414259 485338344 /nfs/dbraw/zinc/33/83/44/485338344.db2.gz GIJRBGNIEFQZEG-UHFFFAOYSA-N 0 3 364.450 -0.459 50 0 FBAAHN CNC(=O)CN(C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426477906 485338026 /nfs/dbraw/zinc/33/80/26/485338026.db2.gz LAPIXDOCBUKXLS-RVSXGSNBSA-N 0 3 371.485 -0.059 50 0 FBAAHN CNC(=O)CN(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426477908 485337843 /nfs/dbraw/zinc/33/78/43/485337843.db2.gz LAPIXDOCBUKXLS-VDUSKEEQSA-N 0 3 371.485 -0.059 50 0 FBAAHN CC(=O)NCCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426479015 485338291 /nfs/dbraw/zinc/33/82/91/485338291.db2.gz RISFDWCIYUGNQE-IPCDKGFNSA-N 0 3 371.485 -0.011 50 0 FBAAHN CC(=O)NCCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000426479020 263600054 /nfs/dbraw/zinc/60/00/54/263600054.db2.gz RISFDWCIYUGNQE-KGXSXCIVSA-N 0 3 371.485 -0.011 50 0 FBAAHN Cc1cc(=O)[n-]c(NCCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000426523458 484365347 /nfs/dbraw/zinc/36/53/47/484365347.db2.gz LYUYVQNXFHBLNG-CYBMUJFWSA-N 0 3 359.434 0.382 50 0 FBAAHN Cc1cc(=O)[n-]c(NCCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000426523461 484365381 /nfs/dbraw/zinc/36/53/81/484365381.db2.gz LYUYVQNXFHBLNG-ZDUSSCGKSA-N 0 3 359.434 0.382 50 0 FBAAHN Cc1cc(=O)[nH]c(NCCNC(=O)NC(C)(C)CN2CCN(C)CC2)n1 ZINC000426612980 484365085 /nfs/dbraw/zinc/36/50/85/484365085.db2.gz TYIZQGLZNWBMMD-UHFFFAOYSA-N 0 3 365.482 0.228 50 0 FBAAHN Cc1cc(N2CCN(C(=O)NCCSc3nc[nH]n3)CC2)nc(N)n1 ZINC000426620008 484544938 /nfs/dbraw/zinc/54/49/38/484544938.db2.gz IUVWDLZSGMXLNI-UHFFFAOYSA-N 0 3 363.451 0.109 50 0 FBAAHN [NH3+]CCN1C[C@]23CC[C@H](O2)[C@H](C(=O)N2CCc4c(=O)[n-]cnc4C2)[C@@H]3C1=O ZINC000426632866 485339468 /nfs/dbraw/zinc/33/94/68/485339468.db2.gz KPZCSZXRJBGQRE-FLTUCWPJSA-N 0 3 373.413 -0.968 50 0 FBAAHN CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H](N)Cc3cnc[nH]3)cc2C1 ZINC000426641597 483944231 /nfs/dbraw/zinc/94/42/31/483944231.db2.gz VUHSHCXJFRCCDK-HNNXBMFYSA-N 0 3 359.434 -0.209 50 0 FBAAHN CC(C)C(=O)N1CCn2nc(CNC(=O)[C@@H](N)Cc3c[nH]cn3)cc2C1 ZINC000426641597 483944224 /nfs/dbraw/zinc/94/42/24/483944224.db2.gz VUHSHCXJFRCCDK-HNNXBMFYSA-N 0 3 359.434 -0.209 50 0 FBAAHN COCCN1CC[C@@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707606 485340202 /nfs/dbraw/zinc/34/02/02/485340202.db2.gz ZZPAGJGYPPLEHG-AWEZNQCLSA-N 0 3 364.450 -0.430 50 0 FBAAHN COCCN1CC[C@H](CNC(=O)N2CCN(c3ncc[nH]c3=O)CC2)C1 ZINC000426707609 485339870 /nfs/dbraw/zinc/33/98/70/485339870.db2.gz ZZPAGJGYPPLEHG-CQSZACIVSA-N 0 3 364.450 -0.430 50 0 FBAAHN CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468142091 484672594 /nfs/dbraw/zinc/67/25/94/484672594.db2.gz OUJMCLMULVRKQD-HNNXBMFYSA-N 0 3 367.494 -0.935 50 0 FBAAHN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468142092 484672726 /nfs/dbraw/zinc/67/27/26/484672726.db2.gz OUJMCLMULVRKQD-OAHLLOKOSA-N 0 3 367.494 -0.935 50 0 FBAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCc2nc(N)n[nH]2)CC1 ZINC000534654296 484550258 /nfs/dbraw/zinc/55/02/58/484550258.db2.gz SVSXHAWUDJVGOA-UHFFFAOYSA-N 0 3 364.454 -0.555 50 0 FBAAHN CS(=O)(=O)N1CCN(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000575615880 484415565 /nfs/dbraw/zinc/41/55/65/484415565.db2.gz ISSJXOIWSXKRSH-CYBMUJFWSA-N 0 3 374.463 -0.106 50 0 FBAAHN CS(=O)(=O)N1CCN(C(=O)NCC2CCN([C@H]3CCOC3)CC2)C1=O ZINC000575615887 484415474 /nfs/dbraw/zinc/41/54/74/484415474.db2.gz ISSJXOIWSXKRSH-ZDUSSCGKSA-N 0 3 374.463 -0.106 50 0 FBAAHN NC(=O)c1csc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000670443349 484985996 /nfs/dbraw/zinc/98/59/96/484985996.db2.gz ARNSWBDZPNXFDC-JTQLQIEISA-N 0 3 374.488 -0.287 50 0 FBAAHN NC(=O)c1csc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000670443350 484985665 /nfs/dbraw/zinc/98/56/65/484985665.db2.gz ARNSWBDZPNXFDC-SNVBAGLBSA-N 0 3 374.488 -0.287 50 0 FBAAHN O=C(Cn1cnnn1)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670462750 485008530 /nfs/dbraw/zinc/00/85/30/485008530.db2.gz FUQCPFOXKZRFBQ-GMXGEUMGSA-N 0 3 353.430 -0.643 50 0 FBAAHN O=C(Cn1cnnn1)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670462751 485008085 /nfs/dbraw/zinc/00/80/85/485008085.db2.gz FUQCPFOXKZRFBQ-ZCDVPAHGSA-N 0 3 353.430 -0.643 50 0 FBAAHN CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)N(C)Cc1nncn1C ZINC000670471947 485045958 /nfs/dbraw/zinc/04/59/58/485045958.db2.gz QDANUTAFMUDLJW-CYBMUJFWSA-N 0 3 351.455 -0.101 50 0 FBAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)N(C)Cc1nncn1C ZINC000670471952 485046106 /nfs/dbraw/zinc/04/61/06/485046106.db2.gz QDANUTAFMUDLJW-ZDUSSCGKSA-N 0 3 351.455 -0.101 50 0 FBAAHN CN1CCN(c2ncc(CN[C@H]3COC[C@H]3Oc3cn[nH]c3)cn2)CC1 ZINC000685941033 571101093 /nfs/dbraw/zinc/10/10/93/571101093.db2.gz ONFDHJNVIYMJGC-JKSUJKDBSA-N 0 3 359.434 -0.113 50 0 FBAAHN CC(=O)N1CCOC2(CCN(C(=O)CN3CCCN(C)CC3)CC2)C1 ZINC000823778339 839145813 /nfs/dbraw/zinc/14/58/13/839145813.db2.gz FBXGSKDHMAQYMF-UHFFFAOYSA-N 0 3 352.479 -0.136 50 0 FBAAHN CN(C)S(=O)(=O)N1CCOC2(CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000827921435 839201217 /nfs/dbraw/zinc/20/12/17/839201217.db2.gz XPAPIEMUCYBZBE-UHFFFAOYSA-N 0 3 374.507 -0.418 50 0 FBAAHN